Condensed Matter and Statistical Physics



CMSP recent publications


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Kohn L., Santoro G., Fabrizio M., Tosatti E.

Kondo nanomechanical dissipation in the driven Anderson impurity model

Phys. Rev. B 107, 035415, (2023)


Ghosh, S., Stojić, N., Binggeli, N.

Rashba-induced spin texture and spin-layer-locking effects in the antiferromagnetic CrI3 bilayer. 

Journal of Physics and Chemistry of Solids, 173, 111100, (2023)


Costa E., Scriva G., Fazio R., Pilati S.

Deep-learning density functionals for gradient descent optimization

Phys. Rev. E 106, 045309, (2022)


Li Z., Scandolo S.

Elasticity and Viscosity of hcp Iron at Earth's Inner Core Conditions From Machine Learning‐Based Large‐Scale Atomistic Simulations

Geophysical Research Letters 49, (2022)


Glielmo A., Macocco I., Doimo D., Carli M., Zeni C., Wild R., d’Errico M., Rodriguez A., Laio A.

DADApy: Distance-based analysis of data-manifolds in Python

Patterns, Vol 3, pag. 100589


Denti F., Doimo D., Laio A., Mira A.

The generalized ratios intrinsic dimension estimator

Sci Rep 12, 20005, (2022)


Russo E., Barone F., Bateman A., Cozzini S., Punta M., Laio A.

DPCfam: Unsupervised protein family classification by Density Peak Clustering of large sequence datasets

PLoS Comput Biol 18, e1010610, (2022)


Galvanetto N., Ye Z., Marchesi A., Mortal S., Maity S., Laio A., Torre V.

Unfolding and identification of membrane proteins in situ

eLfie. 11, undefined, (2022)


Laio A., Luviano Valenzuela U., Serone M.

Monte Carlo approach to the conformal bootstrap

Phys. Rev. D 106, 025019, (2022)


Glielmo A., Zeni C., Cheng B., Csányi G., Laio A.

Ranking the information content of distance measures

PNAS Nexus, 1, (2022)


Laio A.

When kinetics plays strange tricks

Proc. Natl. Acad. Sci. U.S.A. 119, (2022)


Ochoa R., Lunardelli V., Rosa D., Laio A., Cossio P.

Multiple-Allele MHC Class II Epitope Engineering by a Molecular Dynamics-Based Evolution Protocol

Front. Immunol. 13, (2022)


Sengupta S., Gera R., Egan C., Morzan U., Versluis J., Hassanali A., Bakker H.

Observation of Strong Synergy in the Interfacial Water Response of Binary Ionic and Nonionic Surfactant Mixtures

J. Phys. Chem. Lett., 11391-11397, (2022)


Efremov D., Kiselev M.

Seven Études on dynamical Keldysh model

SciPost Phys. Lect. Notes 65, (2022)


Sellitto M.

First-order phase transition in a two dimensional BM3 model

J. Chem. Phys. 156, 124105 (2022)


Sellitto M.

Weakly first-order transition in an athermal lattice gas

Phys. Rev. E 105, 054101, (2022)


Ahmad H., Brosco V., Miano A., Di Palma L., Arzeo M., Montemurro D., Lucignano P., Pepe G., Tafuri F., Fazio R., Massarotti D.

Hybrid ferromagnetic transmon qubit: Circuit design, feasibility, and detection protocols for magnetic fluctuations

Phys. Rev. B 105, 214522, (2022)


Souza L., Manzano G., Fazio R., Iemini F.

Collective effects on the performance and stability of quantum heat engines

Phys. Rev. E 106, 014143, (2022)


Rostami S., Seriani N., Gebauer R.

Hematite surfaces: Band bending and local electronic states

Phys. Rev. Materials 6, 104604, (2022)


Nguyen T., Kiselev M.

Heat Conductance Oscillations in Two Weakly Connected Charge Kondo Circuits

Comm. in Phys. 32, 331, (2022)


Tarabunga P., Surace F., Andreoni R., Angelone A., Dalmonte M.

Gauge-Theoretic Origin of Rydberg Quantum Spin Liquids

Phys. Rev. Lett. 129, 195301, (2022)


Rejhon M., Lavini F., Khosravi A., Shestopalov M., Kunc J., Tosatti E., Riedo E.

Relation between interfacial shear and friction force in 2D materials

Nat. Nanotechnol. (2022)


Fernando N., Stella M., Dawson W., Nakajima T., Genovese L., Regoutz A., Ratcliff L.

Probing disorder in 2CzPN using core and valence states

Phys. Chem. Chem. Phys. 24, 23329-23339, (2022)


Fromholz P., Tsitsishvili M., Votto M., Dalmonte M., Nersesyan A., Chanda T.

Phase diagram of Rydberg-dressed atoms on two-leg triangular ladders

Phys. Rev. B 106, 155411, (2022)


Rostami S., Seriani N., Gebauer R.

Hematite surfaces: Band bending and local electronic states

Phys. Rev. Materials 6, 104604, (2022)


Li J., Fazio R., Chesi S.

Nonlinear dynamics of the dissipative anisotropic two-photon Dicke model

New J. Phys. 24, 083039, (2022)


 El-Kinawy, M., Abdel-Wahab, F., Seriani, N., & El-Faramawy, N. 

DFT study of the role of point and complex defects on luminescence, electronic, and thermodynamic properties of LiF: Mg

Materials Research Bulletin (2022): 112044


Chiriacò G., Dalmonte M., Chanda T.

Critical light-matter entanglement at cavity mediated phase transitions

Phys. Rev. B 106, 155113, (2022)


Morzan U., Díaz Mirón G., Grisanti L., González Lebrero M., Kaminski Schierle G., Hassanali A.

Non-Aromatic Fluorescence in Biological Matter: The Exception or the Rule?

J. Phys. Chem. B 126, 7203-7211, (2022)


Russomanno A., Fava M., Fazio R.

Weak ergodicity breaking in Josephson-junction arrays

Phys. Rev. B 106, 035123, (2022)


M.A.Skvortsov, M.Amini and V.E.Kravtsov, 

Sensitivity of (multi)fractal eigenstates to a perturbation of the Hamiltonian

Phys. Rev. B 106, 054208 (2022)


Chanda T., Kraus R., Zakrzewski J., Morigi G.

Bond order via cavity-mediated interactions

Phys. Rev. B 106, 075137, (2022)


Schönfeldová T., Dupertuis N., Chen Y., Ansari N., Poli E., Wilkins D., Hassanali A., Roke S.

Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water

J. Phys. Chem. Lett. 7462-7468, (2022)


Turkeshi X., Dalmonte M., Fazio R., Schirò M.

Entanglement transitions from stochastic resetting of non-Hermitian quasiparticles

Phys. Rev. B 105, L241114, (2022)


Kraus R., Chanda T., Zakrzewski J., Morigi G.

Quantum phases of dipolar bosons in one-dimensional optical lattices

Phys. Rev. B 106, 035144, (2022)


Jugovac, M., Donkor, E. D., Moras, P., Cojocariu, I., Genuzio, F., Zamborlini, G., Di Santo, G., Petaccia, L., Stojić, N., Feyer, V., Schneider, C. M., Locatelli, A., & Menteş, T. O.

Spin-polarized hybrid states in epitaxially-aligned and rotated graphene on cobalt.

Carbon. Elsevier BV (2022).


Cao X., Silva A., Panizon E., Vanossi A., Manini N., Tosatti E., Bechinger C.

Moiré-Pattern Evolution Couples Rotational and Translational Friction at Crystalline Interfaces

Phys. Rev. X 12, 021059, (2022)


Seetharam K., Lerose A., Fazio R., Marino J.

Dynamical scaling of correlations generated by short- and long-range dissipation

Phys. Rev. B 105, 184305, (2022)


Seriani N.

An Ab Initio Study of Clusters as Building Blocks for Crystals: From Prussian Blue Analogs to Hybrid Perovskites

Physica Status Solidi (b), 2200045, (2022)


Belousov R., Hassanali A., Roldán É.

Statistical physics of inhomogeneous transport: Unification of diffusion laws and inference from first-passage statistics

Phys. Rev. E 106, 014103, (2022)


Chung C., Stephens A., Konno T., Ward E., Avezov E., Kaminski C., Hassanali A., Kaminski Schierle G.

Intracellular Aβ42 Aggregation Leads to Cellular Thermogenesis

J. Am. Chem. Soc. 144, 10034-10041, (2022)


Murciano S., Vitale V., Dalmonte M., Calabrese P.

Negativity Hamiltonian: An Operator Characterization of Mixed-State Entanglement

Phys. Rev. Lett. 128, 140502, (2022)


Ahmoum, H., Li, G., Boughrara, M., Gebauer, R., Su’ait, M. S., Tanji, K., Kerouad, M., Wang, Q.

Oxygen vacancy suppress room temperature ferromagnetism of p-type Cu doped ZnO: Synthesis and density functional theory. 

Micro and Nanostructures 2022, 167, 207291.


Naden Robinson, V., Ghosh, R., Egan, C., Riera, M., Knight, C., Paesani, F., & Hassanali, A.

The Behavior of Methane-Water Mixtures Under Elevated Pressures Using Many-Body Potentials. 

J. Chem. Phys. 156, 194504 (2022)


Dahl, P.J., Yi, S.M., Gu, Y., Acharya, A., Shipps, C., Neu, J., O’Brien, J.P., Morzan, U.N., Chaudhuri, S., Guberman-Pfeffer, M.J. and Vu, D., 2022.

A 300-fold conductivity increase in microbial cytochrome nanowires due to temperature-induced restructuring of hydrogen bonding networks. 

Science Advances, 8(19), p.eabm7193.


Offei-Danso A., Hassanali A., Rodriguez A.

High-Dimensional Fluctuations in Liquid Water: Combining Chemical Intuition with Unsupervised Learning

J. Chem. Theory Comput. 18, 3136-3150, (2022)


Khosravi A., Lainé A., Vanossi A., Wang J., Siria A., Tosatti E.

Understanding the rheology of nanocontacts

Nat Commun 13, 2428, (2022)


Silva A., Tosatti E., Vanossi A.

Critical peeling of tethered nanoribbons

Nanoscale 14, 6384 (2022),


S Sharma, X Turkeshi, R Fazio, M Dalmonte

Measurement-induced criticality in extended and long-range unitary circuits

SciPost Physics Core 5 (2), 023


Stella M., Thapa K., Genovese L., Ratcliff L.

Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems

J. Chem. Theory Comput., (2022)


Gebreyesus G., Ngabonziza P., Nagura J., Seriani N., Akin-Ojo O., Martin R.

Electronic structure and magnetism of the triple-layered ruthenate Sr4Ru3O10

Phys. Rev. B 105, 165119, (2022)


Tsitsishvili M., Chanda T., Votto M., Fromholz P., Dalmonte M., Nersesyan A.

Phase diagram of Rydberg-dressed atoms on two-leg square ladders: Coupling supersymmetric conformal field theories on the lattice

Phys. Rev. B 105, 155159, (2022)


Vitale V., Elben A., Kueng R., Neven A., Carrasco J., Kraus B., Zoller P., Calabrese P., Vermersch B., Dalmonte M.

Symmetry-resolved dynamical purification in synthetic quantum matter

SciPost Phys. 12, 106, (2022)


Tesser L., Bhandari B., Erdman P., Paladino E., Fazio R., Taddei F.

Heat rectification through single and coupled quantum dots

New J. Phys. 24, 035001, (2022)


 Parafilo A., Nguyen T., Kiselev M.

Thermoelectrics of a two-channel charge Kondo circuit: Role of electron-electron interactions in a quantum point contact

Phys. Rev. B 105, L121405, (2022)


Chanda T., Gonzalez-Cuadra D., Lewenstein M., Tagliacozzo L., Zakrzewski J.

Devil's staircase of topological Peierls insulators and Peierls supersolids

SciPost Phys. 12, 076, (2022)


Chanda, T., Lewenstein, M., Zakrzewski, J., & Tagliacozzo, L.

Phase Diagram of 1+1D Abelian-Higgs Model and Its Critical Point

Physical Review Letters 128, 090601 (2022)


Seetharam K., Lerose A., Fazio R., Marino J.

Correlation engineering via nonlocal dissipation

Phys. Rev. Research 4, 013089, (2022)


Passarelli G., Fazio R., Lucignano P.

Optimal quantum annealing: A variational shortcut-to-adiabaticity approach

Phys. Rev. A 105, 022618, (2022)


Hajdušek M., Solanki P., Fazio R., Vinjanampathy S.

Seeding Crystallization in Time

Phys. Rev. Lett. 128, 080603, (2022)


Chanda T., Zakrzewski J.

Many-body localization regime for cavity-induced long-range interacting models

Phys. Rev. B 105, 054309, (2022)


Pruteanu, C. G., Robinson, V. N., Hassanali, A. A., Scandolo, S., Loveday, J., & Ackland, G.

How to determine solubility in binary mixtures from Neutron Scattering data: the case of methane and water. 

J. Chem. Phys. 156, 054502 (2022)


Massani B., Pruteanu C., Conway L., Robinson V., Hermann A., Loveday J.

Ammonia Mono Hydrate IV: An Attempted Structure Solution

Crystals 12, 135, (2022)


Sierant P., Chiriacò G., Surace F., Sharma S., Turkeshi X., Dalmonte M., Fazio R., Pagano G.

Dissipative Floquet Dynamics: from Steady State to Measurement Induced Criticality in Trapped-ion Chains

Quantum 6, 638, (2022)


Tarabunga P., Mendes-Santos T., Illuminati F., Dalmonte M.

Finite-temperature quantum discordant criticality

Phys. Rev. B 105, 075104, (2022)


P.A. Nosov, I.M. Khaymovich, A.Kudlis, V. E. Kravtsov

Statistics of Green’s functions on a disordered Cayley tree and the validity of forward scattering approximation

SciPost Phys. 12, 048 (2022)


Karki D., Pavlov A., Kiselev M.

Multistage Kondo effect in a multiterminal geometry: A modular quantum interferometer

Phys. Rev. B 105, L041410, (2022)


Ochoa R., Soler M. A., Laio, A., Cossio P. 

PARCE: Protocol for amino acid refinement through computational evolution.

Computer Physics Communications , 260, 107716 (2021). 


Russo E., Laio A., Punta M.

Density Peak clustering of protein sequences associated to a Pfam clan reveals clear similarities and interesting differences with respect to manual family annotation

BMC Bioinformatics 22, 121, (2021)


Sormani, G., Harteveld, Z., Rosset, S., Correia, B., Laio, A. 

A Rosetta-based protein design protocol converging to natural sequences.

The Journal of Chemical Physics, 154, 074114 (2021)


Margazoglou G., Grafke T., Laio A., Lucarini V.

Dynamical landscape and multistability of a climate model

Proc. R. Soc. A. 477, 20210019, (2021)


Pullanchery, S., Kulik, S., Rehl, B., Hassanali, A., Roke, S.

Charge transfer across C–H⋅⋅⋅ O hydrogen bonds stabilizes oil droplets in water

Science, 374(6573), 1366-1370, (2021)


Azizi K., Laio A., Hassanali A.

Model Folded Hydrophobic Polymers Reside in Highly Branched Voids

J. Phys. Chem. Lett., 183-189, (2021)


Goliaei, E. M.,  Seriani, N. 

N2O Decomposition on Ti3O6 Deposited on Anatase (101) from First-Principles Calculations: The Role of Oxygen Vacancy.

Applied Surface Science, 152215, (2021).


Aidelsburger M., Barbiero L., Bermudez A., Chanda T., Dauphin A., González-Cuadra D., Grzybowski P., Hands S., Jendrzejewski F., Jünemann J., Juzeliūnas G., Kasper V., Piga A., Ran S., Rizzi M., Sierra G., Tagliacozzo L., Tirrito E., Zache T., Zakrzewski J., Zohar E., Lewenstein M.

Cold atoms meet lattice gauge theory

Phil. Trans. R. Soc. A. 380, 20210064, (2021)


Khosravi, A., Lasave, J. A., Koval, S., Tosatti, E.

Ring population statistics in an ice lattice model

J. Chem. Phys. 155, 224502 (2021)

Rostami S., Ghasemi S., Goedecker S.

Novel polymorphs and polytypes of lithium chloride from structure predictions based on charge equilibration via neural network technique

Phys. Rev. Materials 5, 123603, (2021)


Aramthottil A., Chanda T., Sierant P., Zakrzewski J.

Finite-size scaling analysis of the many-body localization transition in quasiperiodic spin chains

Phys. Rev. B 104, 214201, (2021)


Corti H., Appignanesi G., Barbosa M., Bordin J., Calero C., Camisasca G., Elola M., Franzese G., Gallo P., Hassanali A., Huang K., Laria D., Menéndez C., de Oca J., Longinotti M., Rodriguez J., Rovere M., Scherlis D., Szleifer I.

Structure and dynamics of nanoconfined water and aqueous solutions

Eur. Phys. J. E 44, 136, (2021)


Neven A., Carrasco J., Vitale V., Kokail C., Elben A., Dalmonte M., Calabrese P., Zoller P., Vermersch B., Kueng R., Kraus B.

Symmetry-resolved entanglement detection using partial transpose moments

npj Quantum Inf 7, 152, (2021)


Christian Kokail, Bhuvanesh Sundar, Torsten V. Zache, Andreas Elben, Benoit Vermersch, Marcello Dalmonte, Rick van Bijnen, Peter Zoller

Quantum Variational Learning of the Entanglement Hamiltonian

Phys. Rev. Lett. 127, 170501, (2021)


Gramajo A., Domínguez D., Sánchez M.

Efficient steady-state-entanglement generation in strongly driven coupled qubits

Phys. Rev. A 104, 032410, (2021)


Qaisrani M., Belousov R., Rehman J., Goliaei E., Girotto I., Franklin-Mergarejo R., Güell O., Hassanali A., Roldán É.

Phospholipids dock SARS-CoV-2 spike protein via hydrophobic interactions: a minimal in-silico study of lecithin nasal spray therapy

Eur. Phys. J. E 44, 132, (2021)


Gonzalez Lazo E., Heyl M., Dalmonte M., Angelone A.

Finite-temperature critical behavior of long-range quantum Ising models

SciPost Phys. 11, 076, (2021)


Parez G., Bonsignori R., Calabrese P.

Exact quench dynamics of symmetry resolved entanglement in a free fermion chain

J. Stat. Mech. 2021, 093102, (2021)


Ruggiero P., Calabrese P., Foini L., Giamarchi T.

Quenches in initially coupled Tomonaga-Luttinger Liquids: a conformal field theory approach

SciPost Phys. 11, 055, (2021)


Hanson M., Readnour J., Hassanali A., Corcelli S.

Coupled Local-Mode Approach for the Calculation of Vibrational Spectra: Application to Protonated Water Clusters

J. Phys. Chem. Lett. 12, 9226-9232, (2021)


Gera R., Bakker H., Franklin-Mergarejo R., Morzan U., Falciani G., Bergamasco L., Versluis J., Sen I., Dante S., Chiavazzo E., Hassanali A.

Emergence of Electric Fields at the Water–C12E6 Surfactant Interface

J. Am. Chem. Soc. 143, 15103-15112, (2021)


P. A. Delcompare-Rodriguez and N. Seriani

Ultrathin space charge layer in hematite photoelectrodes: A theoretical investigation

J. Chem. Phys. 155, 114701 (2021)


De Filippis G., de Candia A., Mishchenko A., Cangemi L., Nocera A., Mishchenko P., Sassetti M., Fazio R., Nagaosa N., Cataudella V.

Quantum phase transition of many interacting spins coupled to a bosonic bath: Static and dynamical properties

Phys. Rev. B 104, L060410, (2021)


Cheipesh Y., Pavlov A., Ohanesjan V., Schalm K., Gnezdilov N.

Quantum tunneling dynamics in a complex-valued Sachdev-Ye-Kitaev model quench-coupled to a cool bath

Phys. Rev. B 104, 115134, (2021)


Scopa S., Calabrese P., Piroli L.

Real-time spin-charge separation in one-dimensional Fermi gases from generalized hydrodynamics

Phys. Rev. B 104, 115423, (2021)


Scopa S., Krajenbrink A., Calabrese P., Dubail J.

Exact entanglement growth of a one-dimensional hard-core quantum gas during a free expansion

J. Phys. A: Math. Theor. 54, 404002, (2021)


Mendes-Santos T., Angelone A., Rodriguez A., Fazio R., Dalmonte M.

Intrinsic Dimension of Path Integrals: Data-Mining Quantum Criticality and Emergent Simplicity

PRX Quantum 2, 030332, (2021)


Ackland G., Zong H., Robinson V., Scandolo S., Hermann A.

Two-state model for critical points and the negative slope of the melting curve

Phys. Rev. B 104, 054120, (2021)


Bhandari B., Fazio R., Taddei F., Arrachea L.

From nonequilibrium Green's functions to quantum master equations for the density matrix and out-of-time-order correlators: Steady-state and adiabatic dynamics

Phys. Rev. B 104, 035425, (2021)


Rattacaso D., Passarelli G., Mezzacapo A., Lucignano P., Fazio R.

Optimal parent Hamiltonians for time-dependent states

Phys. Rev. A 104, 022611, (2021)


Khaymovich I., Kravtsov V.

Dynamical phases in a ''multifractal'' Rosenzweig-Porter model

SciPost Phys. 11, 045, (2021)


Scarlatella O., Clerk A., Fazio R., Schiró M.

Dynamical Mean-Field Theory for Markovian Open Quantum Many-Body Systems

Phys. Rev. X 11, 031018, (2021)


Brosco V., Pilozzi L., Fazio R., Conti C.

Non-Abelian Thouless pumping in a photonic lattice

Phys. Rev. A 103, 063518, (2021)


Kohn L., Santoro G.

Efficient mapping for Anderson impurity problems with matrix product states

Phys. Rev. B 104, 014303, (2021)


Glielmo A., Husic B., Rodriguez A., Clementi C., Noé F., Laio A.

Unsupervised Learning Methods for Molecular Simulation Data

Chem. Rev. 121, 9722-9758, (2021)


Turkeshi X., Biella A., Fazio R., Dalmonte M., Schiró M.

Measurement-induced entanglement transitions in the quantum Ising chain: From infinite to zero clicks

Physical Review B 103, 224210, (1 June 2021)


Rostami S., Seriani N., Ghasemi S.A., Gebauer R.

Accurate and flexible neural-network interatomic potential for mixed materials: TixZr1-x O2 from bulk to clusters and nanoparticles

Physical Review Materials 5, 063605, (June 2021)


Artiaco C., Balducci F., Scardicchio A.

Signatures of many-body localization in the dynamics of two-level systems in glasses

Physical Review B 103, 214205, (1 June 2021)


Murciano S., Bonsignori R., Calabrese P.

Symmetry decomposition of negativity of massless free fermions

SciPost Physics 10, 111, (May 2021)


Russomanno A., Fava M., Fazio R.

Chaos and subdiffusion in infinite-range coupled quantum kicked rotors

Physical Review B 103, 224301, (1 June 2021)


Arnon Z.A., Kreiser T., Yakimov B., Brown N., Aizen R., Shaham-Niv S., Makam P., Qaisrani M.N., Poli E., Ruggiero A., Slutsky I., Hassanali A., Shirshin E., Levy D., Gazit E.

On-off transition and ultrafast decay of amino acid luminescence driven by modulation of supramolecular packing

iScience 24, 102695, (23 July 2021)


Ahmoum, H., Li, G., Piao, Y., Liu, S, Gebauer R., Boughrara, M., Su'ait, M. S., Kerouad, M., Wang, Q.

Ab-initio, Monte Carlo and experimental investigation on structural, electronic and magnetic properties of Zn1-xNixO nanoparticles prepared via sol-gel method

Journal of Alloys and Compounds, 854, 157142, (2021)


Allahverdyan A., Hovhannisyan K., Petrosyan D.

Dynamical symmetrization of the state of identical particles

Proc. R. Soc. A. 477, 20200911, (2021)


Hovhannisyan K., Jørgensen M., Landi G., Alhambra Á., Brask J., Perarnau-Llobet M.

Optimal Quantum Thermometry with Coarse-Grained Measurements

PRX Quantum 2, 020322, (2021)


Ghosh S., Stojić N., Binggeli N.

Overcoming the asymmetry of the electron and hole doping for magnetic transitions in bilayer CrI3

Nanoscale 13, 9391-9401, (2021)


Zong H., Robinson V., Hermann A., Zhao L., Scandolo S., Ding X., Ackland G.

Free electron to electride transition in dense liquid potassium

Nat. Phys., (2021)


Stephens A., Qaisrani M., Ruggiero M., Díaz Mirón G., Morzan U., González Lebrero M., Jones S., Poli E., Bond A., Woodhams P., Kleist E., Grisanti L., Gebauer R., Zeitler J., Credgington D., Hassanali A., Kaminski Schierle G.

Short hydrogen bonds enhance nonaromatic protein-related fluorescence

Proc Natl Acad Sci USA 118, e2020389118, (2021)


Horváth D., Capizzi L., Calabrese P.

U(1) symmetry resolved entanglement in free 1+1 dimensional field theories via form factor bootstrap

J. High Energ. Phys. 2021, 197, (2021)


Kubala P., Sierant P., Morigi G., Zakrzewski J.

Ergodicity breaking with long-range cavity-induced quasiperiodic interactions

Phys. Rev. B 103, 174208, (2021)


Bhandari B., Erdman P.A., Fazio R., Paladino E., Taddei F.

Thermal rectification through a nonlinear quantum resonator

Physical Review B 103, 155434, (30 April 2021)


Ahmoum H., Chelvanathan P., Su'ait M.S., Boughrara M., Li G., Gebauer R., Sopian K., Kerouad M., Amin N., Wang Q.

Sol-gel prepared Cu2ZnSnS4 (CZTS) semiconductor thin films: Role of solvent removal processing temperature

Materials Science in Semiconductor Processing 132, 105874, (2021)


Taylor S.R., Scardicchio A.

Subdiffusion in a one-dimensional Anderson insulator with random dephasing: Finite-size scaling, Griffiths effects, and possible implications for many-body localization

Physical Review B 103, 184202, (7 May 2021)


Karki D., Kiselev M.

Overscreened Kondo problem with large spin and large number of orbital channels: Two distinct semiclassical limits in quantum transport observables

Phys. Rev. B 103, L201402, (2021)


Artiaco C., Balducci F., Parisi G., Scardicchio A.

Quantum jamming: Critical properties of a quantum mechanical perceptron

Phys. Rev. A 103, L040203, (2021)


Novotný J., Mariano A., Pascazio S., Scardicchio A., Jex I.

Relaxation to equilibrium in controlled-not quantum networks

Phys. Rev. A 103, 042218, (2021)


Pavlov A., Kiselev M.

Quantum thermal transport in the charged Sachdev-Ye-Kitaev model: Thermoelectric Coulomb blockade

Phys. Rev. B 103, L201107, (2021)


Zhang J., Ishizuka K., Tomitori M., Arai T., Hongo K., Maezono R., Tosatti E., Oshima Y.

Peculiar Atomic Bond Nature in Platinum Monatomic Chains

Nano Lett. 21, 3922-3928, (2021)


Adimi S., Qi W., Thomas T., Gebauer R., Yang M., Ruan S.

Surface oxidation for enhancing the hydrogen evolution reaction of metal nitrides: a theoretical study on vanadium nitride

Mater. Adv.  2, 3394–3404, (2021)


Hammam K., Hassouni Y., Fazio R., Manzano G.

Optimizing autonomous thermal machines powered by energetic coherence

New Journal of Physics 23, 043024, (April 2021)


Fang Y., Wang Y.D., Fazio R., Chesi S.

Superradiantlike dynamics of nuclear spins by nonadiabatic electron shuttling

Physical Review B 103, 155301, (1 April 2021)


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Revealing the Li2O2 Nucleation Mechanisms on CeO2 Catalysts for Lithium-Oxygen Batteries

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The oxygen evolution reaction in hematite - Carbon nanotube composites: Insights from density functional theory

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Squeezing Oil into Water under Pressure: Inverting the Hydrophobic Effect

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Non-Abelian Symmetries and Disorder: A Broad Nonergodic Regime and Anomalous Thermalization

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Methylammonium tin iodide perovskite: structural, electronic and thermodynamic properties by a DFT study with different exchange–correlation functionals

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Symmetry resolved entanglement in gapped integrable systems: a corner transfer matrix approach

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Quantum Transport Through a "Charge" Kondo Circuit: Effects of Weak Repulsive Interaction in Luttinger Liquid

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Ab initio Determination of the Phase Diagram of CO_{2} at High Pressures and Temperatures

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Superfluid-to-Mott transition in a Bose-Hubbard ring: Persistent currents and defect formation

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Insights into the Emerging Networks of Voids in Simulated Supercooled Water

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Quasiparticle and Optical Properties of Hydrogen Titanate and Its Defective Systems: An Investigation by Density Functional Theory with Hubbard Correction, Many-Body Perturbation Theory, and Bethe–Salpeter Equation

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Multipartite Entanglement Structure in the Eigenstate Thermalization Hypothesis

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Journal of High Energy Physics 2020, 56, (1 February 2020)


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Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its Cα Carbons

Journal of Chemical Theory and Computation 16, (14 January 2020)


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Charge transfer as a ubiquitous mechanism in determining the negative charge at hydrophobic interfaces

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A computational study on the role of water and conformational fluctuations in Hsp90 in response to inhibitors

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Selective capture of CO2 over N2 and CH4: B clusters and their size effects

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Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation

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Allosteric Motions of the CRISPR–Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics

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Maximum power and corresponding efficiency for two-level heat engines and refrigerators: Optimality of fast cycles

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"Entanglement Hamiltonian of quantum critical chains and conformal field theories"

Phys. Rev. B 100, 155122, (2019)


J. Zhang, P. Ruggiero, and P. Calabrese

"Subsystem trace distance in low-lying states of (1+ 1)-dimensional conformal field theories"

JHEP 10, 181, (2019)


R. Modak, L. Piroli, and P. Calabrese

"Correlations and entanglement spreading in nested spin chains"

J. Stat. Mech. 093106, (2019)


S. Franz, T. Maimbourg, G Parisi and A. Scardicchio

"Impact of jamming criticality on low-temperature anomalies in structural glasses"

Proceedings of the National Academy of Sciences, 201820360 (2019)


P. Facchi, G. Parisi, S. Pascazio, A. Scardicchio, K. Yuasa

"Phase diagram of bipartite entanglement"

Journal of Physics A: Mathematical and Theoretical 52, 414002, (2019)


Alam Khorsed, N. Seriani, Prasenjit Sen

"alpha-MnO2 under pressure: possible route to delta-MnO2"

Materials Research Express 6, 076108 (2019)


J. J. Mendoza-Arenas, M. Žnidarič, V. K. Varma, J. Goold, S. R. Clark, and A. Scardicchio

"Asymmetry in energy versus spin transport in certain interacting disordered systems"

Physical Review B 99 (9), 094435


E. Shomali, I. Abdolhosseini Sarsari, F. Tabatabaei, M. R. Mosaferi, N. Seriani

"Graphyne as the anode material of magnesium-ion batteries: ab initio study"

Computational Materials Science 163, 315 (2019)


R. Khasseh, R. Fazio, S. Ruffo, and A. Russomanno

"Many-Body Synchronization in a Classical Hamiltonian System"

Phys. Rev. Lett. 123, 184301


M Brenes, VK Varma, A Scardicchio, I Girotto

"Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques"

Computer Physics Communications 235, 477-488 (2019)

 L. A. Varilla, N. Seriani, J. Montoya

"Molecular adsorption and dissociation of CO2 on TiO2 anatase (001) activated by oxygen vacancies"

Journal of Molecular Modeling 25, 231 (2019)



"Valley Jahn-Teller Effect in Twisted Bilayer Graphene"

Phys. Rev. X 9, 041010


L. Gigli, A. Vanossi, E. Tosatti

"Modeling nanoribbon peeling"

11, 17396


"Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins"

Physical Chemistry Chemical Physics,  21, 23931-23942 (2019)


V. Alba and P. Calabrese

"Quantum information scrambling after a quantum quench"

Phys. Rev. B 100, 115150 (2019)


H. Shapourian, P, Ruggiero, S. Ryu, and P. Calabrese

"Twisted and untwisted negativity spectrum of free fermions"

SciPost Phys. 7, 037 (2019)


N. Ansari, A. Laio and A. A. Hassanali

"Spontaneously Forming Dendritic Voids in Liquid Water Can Host Small Polymers"

J. Phys. Chem. Lett. 1018, 5585-5591 (2019)

D. B. Karki
 and Mikhail N. Kiselev

"Nonlinear Seebeck effect of SU(N) Kondo impurity"

Phys. Rev. B 100, 125426 (2019)


S. Ghosh, N. Mammen and S. Narasimhan

"Descriptor for the Efficacy of Aliovalent Doping of Oxides and Its Application for the Charging of Supported Au Clusters"

J. Phys. Chem. C, 123, 32, 19794-19805 (2019)


T. Iadecola and M. Znidaric

"Exact Localized and Ballistic Eigenstates in Disordered Chaotic Spin Ladders and the Fermi-Hubbard Model"

Phys. Rev. Lett. 123, 036403  (2019)


M .N. Qaisrani, L. Grisanti, R. Gebauer, and A. A.  Hassanali 

"Structural and dynamical heterogeneities at glutamine–water interfaces"

Physical Chemistry Chemical Physics, 21, 16083 - 16094 (2019)


S. Pappalardi, P. Calabrese, and G. Parisi

"Entanglement entropy of thelong-range Dyson hierarchical model"

J. Stat. Mech. 073102 (2019)


V. Alba and P. Calabrese

"Quantum information dynamics in multipartite integrablesystems"

EPL 126, 60001 (2019)


Guido Masella, Adriano Angelone, Fabio Mezzacapo, Guido Pupillo, and Nikolay V. Prokof’ev

"Supersolid Stripe Crystal from Finite-Range Interactions on a Lattice"

Phys. Rev. Lett. 123, 045301  (2019)


L. Piroli, E. Vernier, P. Calabrese, and B. Pozsgay

"Integrable quenches in nested spin chains II: the Quantum Transfer Matrix approach"

J. Stat. Mech. 063104 (2019)


L. Piroli, E. Vernier, P. Calabrese, and B. Pozsgay

"Integrable quenches in nested spin chains I: the exact steady states"

J. Stat. Mech. 063103 (2019)


G. Manzano, R. Fazio and E. Roldán

"Quantum Martingale Theory and Entropy Production"

Phys. Rev. Lett. 122, 220602 (2019)


M. Jugovac, F. Genuzio, E. Gonzalez Lazo, N. Stojic, G. Zamborlini, V. Feyer, T. O. Mentes, A. Locatelli, C. M. Schneider

"Role of carbon dissolution and recondensation in graphene epitaxial alignment on cobalt"

Carbon 152, 489-496  (2019)


S. Ghosh, N. Stojic, and N. Binggeli

"Structural and magnetic response of CrI3 monolayer to electric field"

Physica B, Condens. Matter 570, 166 (2019)


N. C. Costa, T. Mendes-Santos, T. Paiva, N. J. Curro, R. R. dos Santos, R. T. Scalettar

"Coherence temperature in the diluted periodic Anderson model"

Phys. Rev. B 99, 195116 (2019)


 M. J. Farsani and R. Fazio

"Quantum heat switch with multiple qubits"

Phys. Lett. A, 383, 1722-1727  (2019)


J. Zhang, P. Ruggiero and P. Calabrese

"Subsystem Trace Distance in Quantum Field Theory"

Phys. Rev. Lett. 122, 141602  (2019)


G. Manzano, R. Silva, and Juan M. R. Parrondo

"Autonomous thermal machine for amplification and control of energetic coherence"

Phys. Rev. E 99, 042135  (2019)


J. Tangpanitanon, S. R. Clark, V. M. Bastidas, R. Fazio, D. Jaksch, and D. G. Angelakis

"Hidden order in quantum many-body dynamics of driven-dissipative nonlinear photonic lattices"

Phys. Rev. A 99, 043808 (2019)


P. A. Erdman, J. T. Peltonen, B. Bhandari, B. Dutta, H. Courtois, R. Fazio, F. Taddei, and J. P. Pekola

"Nonlinear thermovoltage in a single-electron transistor"

Phys. Rev. B 99, 165405 (2019)


S. Barbarino, D. Rossini, M. Rizzi, R. Fazio, G. E. Santoro and M. Dalmonte

"Topological Devil's staircase in atomic two-leg ladders"

New J. Phys. 21 043048 (2019)


X. Turkeshi, T. Mendes-Santos, G. Giudici, and M. Dalmonte

"Entanglement-Guided Search for Parent Hamiltonians"

Phys. Rev. Lett. 122, 150606  (2019) 


G. Pinamonti, F. Paul, F. Noé, A. Rodriguez, and G. Bussi

"The mechanism of RNA base fraying: Molecular dynamics simulations analyzed with core-set Markov state models"

J. Chem. Phys. 150, 154123 (2019)


F. Tschirsich, S. Montangero, and M. Dalmonte

"Phase Diagram and Conformal String Excitations of Square Ice using Gauge Invariant Matrix Product States"

SciPost Phys. 6, 028  (2019)


F. Tschirsich, S. Montangero, and M. Dalmonte

"Phase Diagram and Conformal String Excitations of Square Ice using Gauge Invariant Matrix Product States"

SciPost Phys. 6, 028  (2019)


M. Mestyan, B. Bertini, L. Piroli, and P. Calabrese

"Spin-charge separation effects in the low-temperature transport of 1D Fermi gases"

Phys. Rev. B 99, 014305 (2019)


S. Murciano, P. Ruggiero, and P. Calabrese

"Entanglement and relative entropies for low-lying excited states in inhomogeneous one-dimensional quantum systems"

J. Stat. Mech. 034001 (2019)


O. Scarlatella, R. Fazio, and M. Schiró

"Emergent finite frequency criticality of driven-dissipative correlated lattice bosons"

Phys. Rev. B 99, 064511 (2019)


F. M. Surace, A. Russomanno, M. Dalmonte, A. Silva, R. Fazio, and F. Iemini

"Floquet time crystals in clock models"

Phys. Rev. B 99, 104303 (2019)


V. Alba, S. N. Santalla, P. Ruggiero, J. Rodriguez-Laguna, P. Calabrese, and G. Sierra,

"Unusual area-law violation in random inhomogeneous systems"

J. Stat. Mech. 023105 (2019)


M. Corva, F. Mohamed, E. Tomsic, M. Rinaldi, C. Cepek, N. Seriani, M. Peressi and E. Vesselli

"Learning from Nature: Charge Transfer and Carbon Dioxide Activation at Single, Biomimetic Fe Sites in Tetrapyrroles on Graphene"

The Journal of Physical Chemistry C 123, 3916 (2019)


G. Giudici, A. Angelone, G. Magnifico, Z. Zeng, G. Giudice, T. Mendes-Santos, and M. Dalmonte

"Diagnosing Potts criticality and two-stage melting in one-dimensional hard-core boson models"

Phys. Rev. B 99, 094434 (2019)


A. Rajabpour, R. Seif, S. Arabha, M. M. Heyhat, S. Merabia, and A. A. Hassanali

"Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study"

J. Chem. Phys. 150, 114701  (2019)


P. A. Nosov,  I. M. Khaymovich,  and V. E. Kravtsov

"Correlation-induced localization"

Phys. Rev. B 99, 104203  (2019)


F. Pellegrini, E. Panizon,G. E. Santoro, E. Tosatti

"Thermally assisted lubricity and negative work tails in sliding friction"

Phys. Rev. B 99, 075428 (2019)


L. Gigli, S. Kawai, R. Guerra, N. Manini, R. Pawlak, X. Feng, K. Mullen P. Ruffieux.

R. Fasel, E.Tosatti,  E. Meyer, A. Vanossi

"Detachment Dynamics of Graphene Nanoribbons on Gold" Detachment Dynamics of Graphene Nanoribbons on Gold"

ACS NANO 13, 689 (2019)


E. M. Goliaei and N. Seriani

"Structure and Electronic Properties of Small Silver–Gold Clusters on Titania Photocatalysts for H2O2 Production: An Investigation with Density Functional Theory"

J. Phys. Chem. C, 123, 2855 (2019)


J. M. Kikkawa, E. Mele, A. Pinczuk, E. Tosatti, and A. G. Yodh

"Elias Burstein (1917–2017)"

National Academy of Sciences Biographical Memoirs (2019)


A. B. Santos-Putungan, N. Stojic, N. Binggeli and F. N. C. Paraan

"Strong chemisorption of CO2 on B10–B13 planar-type clusters"

J. Phys. Condens. Matter 31, 145504 (2019)


V. D. Pham, S. Ghosh, F. Joucken, M. P. Fernandez, V. Repain, C. Chacon, A. Bellec, Y. Girard, R.Sporken, S. Rousset, Y. J. Dappe, S. Narasimhan and J.Lagoute.

"Selective control of molecule charge state on graphene using tip-induced electric field and nitrogen doping"

npj 2D Materials and Applications 3, 5 (2019)


M. V. Feigel'man and V. E. Kravtsov

"Electron-phonon cooling power in Anderson insulators"

Phys. Rev. B 99, 125415 (2019)


M. Znidaric

"Nonequilibrium steady-state Kubo formula: Equality of transport coefficients"

Phys. Rev. B 99, 035143 (2019)


F. Tonielli, R. Fazio, S. Diehl, and J. Marino

"Orthogonality Catastrophe in Dissipative Quantum Many-Body Systems"

Phys. Rev. Lett. 122, 040604 (2019)


S. Barbarino, R. Fazio, V. Vedral, and Y. Gefen

"Engineering statistical transmutation of identical quantum particles"

Phys. Rev. B 99, 045430 (2019)


 S. Biswas, I. Errea, M. Calandra, F. Mauri, and S. Scandolo

"Ab initio study of the LiH phase diagram at extreme pressures and temperatures"

Phys. Rev. B 99, 024108 (2019)


 M. Imam, N. Stojić, and N. Binggeli

"Mechanism for Reversible Electrical Switching of Spin Polarization in Co/PbZr0.2Ti0.8O3/La0.7Sr0.3MnO3 Tunnel Junctions"

Phys. Rev. Applied 11, 014028 (2019)


G. De Tomasi, M. Amini, S. Bera, I. M. Khaymovich, V. E. Kravtsov

"Survival probability in Generalized Rosenzweig-Porter random matrix ensemble"

SciPost Phys. 6, 014 (2019)


K. Ulman, E. Poli, N. Seriani, S. Piccinin, R. Gebauer

"Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study"

J. Chem. Phys. 150, 041707 (2019)


Phys. Rev. B 99, 035134 (2019)


L. Ferro, R. Fazio, F. Illuminati, G. Marmo, S. Pascazio and V. Vedral

"Measuring quantumness: from theory to observability in interferometric setups"

The European Physical Journal D 72 (12), 219  (2018)


 J. Jin, A. Biella, O. Viyuela, C. Ciuti, R. Fazio, and D. Rossini

"Phase diagram of the dissipative quantum Ising model on a square lattice"

Phys. Rev. B 98, 241108  (2018)


M. Angeli, D. Mandelli, A. Valli, A. Amaricci, M. Capone, E. Tosatti and M. Fabrizio

"Emergent D6 symmetry in fully relaxed magic-angle twisted bilayer graphene"

Phys. Rev. B 98, 235137  (2018)


A. Battisti, S. Zamuner, E. Sarti  and A. Laio

"Toward a unified scoring function for native state discrimination and drug-binding pocket recognition"

Phys. Chem. Chem. Phys, 20, 17148 (2018)


L. Mazza, F. Iemini, M. Dalmonte and C. Mora

"Non-topological parafermions in a one-dimensional fermionic model with even multiplet pairing"

Phys. Rev. B 98, 201109  (2018)


G. Bussi, A. Laio and P. Tiwary

"Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics"

Handbook of Materials Modeling: Methods: Theory and Modeling, 1-3, Editors: Wanda Andreoni ,Sidney Yip, Publisher: Springer International Publishing (2018)


B. Bhattacharya, N. Seriani and U. Sarkar

"Raman and IR signature of pristine and BN- doped gamma-graphyne from first-principle"

Carbon 141, 652  (2018)


S. Bera, G. De Tomasi, I. M. Khaymovich and A. Scardicchio

"Return probability for the Anderson model on the random regular graph"

Phys. Rev. B 98, 134205  (2018)


M. Schulz, S. R. Taylor, C. A. Hooley, and A. Scardicchio

"Energy transport in a disordered spin chain with broken U(1) symmetry: Diffusion, subdiffusion, and many-body localization"

Phys. Rev. B 98, 180201  (2018)


N. Ansari, R. Dandekar, S. Caravati,  G.C. Sosso and A. A. Hassanali

"High and low density patches in simulated liquid water "

J. Chem. Phys. 149, 204507  (2018)


M. Corva, F. Mohamed, E. Tomsic, Z. Feng, T. Skala, G. Comelli, N. Seriani, M. Peressi and E. Vesselli

"Substrate- to laterally-driven self-assembly steered by Cu nanoclusters: the case of FePcs on an ultrathin alumina film"

ACS Nano 12, 10755 (2018)


F. Cosco, M. Borrelli, E. Laine, S. Pascazio, A. Scardicchio and S. Maniscalco

"Statistics of orthogonality catastrophe events in localised disordered lattices"

New J. Phys. 20, 073041 (2018)


M. Corva, A. Ferrari, M. Rinaldi, Z. Feng, M. Roiaz, C. Rameshan, G. Rupprechter, R.  Costantini, M. Dell’Angela, G. Pastore, G. Comelli, N. Seriani & E. Vesselli

"Vibrational fingerprint of localized spin excitons in a 2D metalorganic crystal"

Nature Communications 9, 4703 (2018)


M. Keck, D. Rossini, and R. Fazio

"Persistent currents by reservoir engineering"

Phys. Rev. A 98, 053812  (2018)


A. Laio,  A. Z. Panagiotopoulos and D. M. Zuckerman

"Preface: Special Topic on Enhanced Sampling for Molecular Systems"

J. Chem. Phys. 149, 072001  (2018)


E. Tosatti

"The Renaissance Of Friction: From Empirism To Physics – At The Nanoscale"

Istituto Lombardo - Accademia Di Scienze E Lettere (2018)


A. V. Parafilo,  M. N. Kiselev

"Landau-Zener Transitions and Rabi Oscillations in a Cooper-Pair Box: Beyond Two-Level Models"

Low Temperature Physics, 44 (12), 1692–1699  (2018)


P. Ruggiero, E. Tonni, and P. Calabrese

"Entanglement entropy of two disjoint intervals and the recursion formula for conformal blocks"

J. Stat. Mech. 113101  (2018)


L.M.R. Napolitano, A. Marchesi, A. Rodriguez, M. De March, S. Onesti, A. Laio, V. Torre

"The permeation mechanism of organic cations through a CNG mimic channel"

PLOS Computational Biology 14, e1006295  (2018)


B. Bhandari, G. Chiriacò, P. A. Erdman, R. Fazio and F. Taddei

"Thermal drag in electronic conductors"

Phys. Rev. B 98, 035415  (2018)


A. Rodriguez, M. d Errico, E. Facco and A. Laio

"Computing the Free Energy without Collective Variables"

Journal of Chemical Theory and Computation 14, 1206  (2018)


G. Manzano

"The squeezed thermal reservoir as a generalized equilibrium reservoir"

Phys. Rev. E 98, 042123  (2018)


S. Pappalardi, A. Russomanno, B. Zunkovic, F. Iemini, A. Silva, R. Fazio

"Scrambling and entanglement spreading in long-range spin chains"

Phys. Rev. B 98, 134303  (2018)


G. Manzano

"Entropy production and fluctuations in a Maxwell's refrigerator with squeezing"

Eur. Phys. J. Special Topics 227, 285  (2018)


L. Amico, D. M. Basko, F. S. Bergeret, O. Buisson, H. Courtois, R. Fazio,

W. Guichard, A. Minguzzi , J. Pekola, G. Schön, S. Bergeret

"Mesoscopic electron transport and atomic gases, a review of Frank W. J. Hekking's scientific work"

SciPost Phys. 5, 009  (2018)


A. Bastianello, P. Calabrese


R. Gebauer, M. H. Cohen, R Car


D. B. Karki and M. N. Kiselev


L. T. Poaty, K. Ulman, N. Seriani, B. M. Mabiala and R. Gebauer

"Characterization of peroxo reaction intermediates in the water oxidation process on hematite surfaces"

Journal of molecular modeling 24 (10), 284  (2018)


P. A.  Erdman, B.  Bhandari, R. Fazio, J. P. Pekola, and F. Taddei

"Absorption refrigerators based on Coulomb-coupled single-electron systems"

Phys. Rev. B 98, 045433  (2018)


M. Mestyán, V. Alba, P. Calabrese

"Rényi entropies of generic thermodynamic macrostates in integrable systems"

J. Stat. Mech. 083104  (2018)


J. C. P. Barros, M. Dalmonte and A. Trombettoni

"Long-range interactions from U (1) gauge fields via dimensional mismatch"

J. Stat. Mech. 103103  (2018)


G. Giudici, T. Mendes-Santos, P. Calabrese, and M. Dalmonte

"Entanglement Hamiltonians of lattice models via the Bisognano-Wichmann theorem"

Phys. Rev. B 98, 134403  (2018)


G. Manzano, F. Plastina and Roberta Zambrini

"Optimal Work Extraction and Thermodynamics of Quantum Measurements and Correlations"

Phys. Rev. Lett. 121, 120602  (2018)


B. Bertini, M. Fagotti, L. Piroli, P. Calabrese

"Entanglement evolution and generalised hydrodynamics: noninteracting systems"

J. Phys. A: Math. Theor. 51, 39LT01  (2018)


S. Groha, F. H. L. Essler, P. Calabrese

"Full Counting Statistics in the Transverse Field Ising Chain"

SciPost Phys. 4, 043  (2018)


S. Sorella, K. Seki, O. O. Brovko, T. Shirakawa, S. Miyakoshi, S. Yunoki and E. Tosatti

"Correlation-Driven Dimerization and Topological Gap Opening in Isotropically Strained Graphene"

Phys. Rev. Lett. 121, 066402  (2018)


Y. A. P. Sirkin, A. A. Hassanali  and D. A. Scherlis

"One-Dimensional Confinement Inhibits Water Dissociation in Carbon Nanotubes"

 J. Phys. Chem. Lett.  9, 5029-5033 (2018)


A. Laio, A. Z. Panagiotopoulos and D. M. Zuckerman

"Preface: Special Topic on Enhanced Sampling for Molecular Systems"

The Journal of Chemical Physics 149, 072001 (2018)


 K. Jong and A. A. Hassanali

"A Data Science Approach to Understanding Water Networks Around Biomolecules: The Case of Tri-Alanine in Liquid Water"

J. Phys. Chem. B 122 (32), 7895 (2018)


G. Manzano, J. M. Horowitz and J. M. R. Parrondo

"Quantum Fluctuation Theorems for Arbitrary Environments: Adiabatic and Nonadiabatic Entropy Production"

Phys. Rev. X 8, 031037 (2018)


B. Bertini, E. Tartaglia and P. Calabrese

"Entanglement and diagonal entropies after a quench with no pair structure"

J. Stat. Mech. 063104 (2018)


A. Battisti, S. Zamuner, E. Sarti and A. Laio

"Toward a unified scoring function for native state discrimination and drug-binding pocket recognition"

Phys. Chem. Chem. Phys. 20, 17148 (2018)


F. Iemini, A. Russomanno, J. Keeling, M. Schirò, M. Dalmonte and R. Fazio

"Boundary Time Crystals"

Phys. Rev. Lett. 121, 035301 (2018)


T. Maimbourg, M. Sellitto, G. Semerjian and F. Zamponi

"Generating dense packings of hard spheres by soft interaction design"

SciPost Phys. 4, 039 (2018)


M. Kisiel, O.O. Brovko, D. Yildiz, R. Pawlak,U. Gysin, E. Tosatti and E. Meyer

"Mechanical dissipation from charge and spin transitions in oxygen-deficient SrTiO3 surfaces"

Nature Communications 9, 2946 (2018)


S. A. H. Abass and N. Seriani

"Structural and Electronic Properties of Na2Ti3O7 and H2Ti3O7"

Physica Status Solidi B 1700612, (2018) 


V. Meng'wa, N. Makau, G. Amolo, S. Scandolo and N. Seriani

"A Density Functional Theory Study of Water Photo-oxidation at Copper Oxide Nanostructures on the Anatase (101) Surface"

J. Phys. Chem. C 122 (29), 16765 (2018)


K. H. Jong, N. Ansari, L. Grisanti and A. A. Hassanali

"Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations"

Journal of Molecular Liquids  263, 501 (2018)


J. P. L. Faye, M. N. Kiselev, P. Ram, B. Kumar and D. Sénéchal

"Phase diagram of the Hubbard-Kondo lattice model from the variational cluster approximation"

Phys. Rev. B 97, 235151 (2018)


I. Ahamed, K. Ulman, N. Seriani, R. Gebauer and A. Kashyap

"Magnetoelectric ϵ-Fe2O3: DFT study of a potential candidate for electrode material in photoelectrochemical cells"

The Journal of Chemical Physics 148, 214707 (2018)


R. Dandekar and A. A. Hassanali

"Hierarchical lattice models of hydrogen-bond networks in water"

Phys. Rev. E 97, 062113 (2018)


M. Dalmonte, B. Vermersch and P. Zoller

"Quantum simulation and spectroscopy of entanglement Hamiltonians"

Nature Physics 2018


D. B. Karki, C. Mora, J. von Delft and M. N. Kiselev

"Two-color Fermi-liquid theory for transport through a multilevel Kondo impurity"

Phys. Rev. B 97, 195403 (2018), selected as Editors’ Suggestion


E. T. Owen, J. Jin, D. Rossini, R. Fazio and M. J. Hartmann

"Quantum correlations and limit cycles in the driven-dissipative Heisenberg lattice"

New J. Phys. 20, 045004 (2018)


E. Rico, M. Dalmonte, P. Zoller, D. Banerjee, M. Bogli, P. Stebler and U.-J. Wiese

"SO(3) "Nuclear Physics" with ultracold Gases"

Annals of Phys. 393, 466 (2018)


S. Venkatesan, R. P. Vivek-Ananth, R. P. Sreejith, P. Mangalapandi, A. A. Hassanali and A. Samal

"Network approach towards understanding the crazing in glassy amorphous polymers"

J. Stat. Mech. 043305 (2018)


S. Sonar, M. Hajdušek, M. Mukherjee, R. Fazio, V. Vedral, S. Vinjanampathy and L-C. Kwek

"Squeezing Enhances Quantum Synchronization"

Phys. Rev. Lett. 120, 163601 (2018), selected as Editors’ Suggestion


F. Anza, C. Gogolin and M. Huber

"Eigenstate Thermalization for Degenerate Observables"

Phys. Rev. Lett. 120, 150603 (2018)


K. Ulman,  S. Busch, and A. A. Hassanali

"Quantum mechanical effects in zwitterionic amino acids: The case of proline, hydroxyproline, and alanine in water"

Journal of Chemical Physics 148, 22 (2018)


T. Brazda, A. Silva, N. Manini, A. Vanossi, R. Guerra, E. Tosatti and C. Bechinger

"Experimental Observation of the Aubry Transition in Two-Dimensional Colloidal Monolayers"

Phys. Rev. X 8, 011050 (2018). (Featured in Physics)


J. Hašík, E. Tosatti and R. Martoňák

"Quantum and classical ripples in graphene”

Phys. Rev. B 97, 140301(R) (2018), selected as Editors’ Suggestion


E. Panizon, G. E. Santoro, E. Tosatti, G. Riva and N. Manini

"Analytic understanding and control of dynamical friction"

Phys. Rev. B 97, 104104 (2018), selected as Editors' suggestion


T. Zanca, F. Pellegrini, G. E. Santoro and E. Tosatti

"Frictional lubricity enhanced by quantum mechanics",

Proceedings of the National Academy of Sciences of the United States of America, 115, 3547 (2018)

X. Deng, V. E. Kravtsov, G. V. Shlyapnikov, and L. Santos

"Duality in Power-Law Localization in Disordered One-Dimensional Systems"

Phys. Rev. Lett. 120, 110602 (2018)


L. Privitera, A. Russomanno, R. Citro and G. E. Santoro

"Nonadiabatic Breaking of Topological Pumping"

Phys. Rev. Lett. 120, 106601 (2018)


E. M. Inack, G. Giudici, T. Parolini, G. Santoro and S. Pilati

"Understanding quantum tunneling using diffusion Monte Carlo simulations"

Phys. Rev. A 97, 032307 (2018)


A. Nava, C. Giannetti, A. Georges, E. Tosatti and M. Fabrizio

"Cooling quasiparticles in A3C60 fullerides by excitonic mid-infrared absorption"

Nature Physics 14, 154 (2018)


Y. Gao, T. Cao, F. Cellini, C. Berger, W. de Heer, E. Tosatti, E. Riedo and A. Bongiorno

“Ultra-hard carbon film from epitaxial two-layer graphene”

Nature Nanotechnology 13, 133 (2018)


E. Panizon, T. Marx, D. Dietzel, F. Pellegrini, G.E. Santoro, A. Schirmeisen and E. Tosatti

"Friction anomalies at first-order transition spinodals: 1T-TaS2"

New J. Phys. 20, 023033 (2018)


S. Barbarino, M. Dalmonte, R. Fazio and G. E. Santoro

"Topological phases in frustrated synthetic ladders with an odd number of legs"

Phys. Rev. A 97, 013634 (2018)


A. Rodriguez, M. d’Errico, E. Facco and A. Laio

"Computing the Free Energy without Collective Variables"

J. Chem. Theory Comput.  14, 3, 1206 (2018)


M. F. Ludovico, L. Arrachea, M. Moskalets and D. Sánchez

"Probing the energy reactance with adiabatically driven quantum dots"

Phys. Rev. B 97, 041416(R) (2018)


T. K. T. Nguyen and M. N. Kiselev

"Seebeck effect on a weak link between Fermi and non-Fermi liquids"

Phys. Rev. B 97, 085403 (2018)


A. Biella, J. Jin, O. Viyuela, C. Ciuti, R. Fazio and D. Rossini

"Linked cluster expansions for open quantum systems on a lattice"

Phys. Rev. B 97, 035103  (2018)


M. Brenes, M. Dalmonte, M. Heyl and A. Scardicchio

"Many-Body Localization Dynamics from Gauge Invariance"

Phys. Rev. Lett. 120, 030601 (2018), selected as PRL Editors' suggestion


A. Elben, B. Vermersch, M. Dalmonte, J. I. Cirac and P. Zoller

"Rényi Entropies from Random Quenches in Atomic Hubbard and Spin Models"

Phys. Rev. Lett. 120, 050406 (2018)


B. Vermersch, A. Elben, M. Dalmonte, J. I. Cirac and P. Zoller

"Unitary n-designs via random quenches in atomic Hubbard and spin models: Application to the measurement of Rényi entropies"

Phys. Rev. A 97, 023604 (2018)


L. Gigli, N. Manini, E. Tosatti, R.  Guerra and A. Vanossi

"Lifted graphene nanoribbons on gold: from smooth sliding to multiple stick-slip

Nanoscale, 10, 2073 (2018)


S. Notarnicola, F. Iemini, D. Rossini, R. Fazio, A. Silva and A. Russomanno

"From localization to anomalous diffusion in the dynamics of coupled kicked rotors"

Phys. Rev. E 97, 022202 (2018)


Y. Wang, S.-Q. Jiang, A. F. Goncharov, F. A. Gorelli, X.-J. Chen, D. Plasienka, R. Martonak, E. Tosatti and M. Santoro 

"Synthesis and Raman spectroscopy of a layered SiS2 phase at high pressures"

J. Chem. Phys. 148, 014503 (2018)


G. Vladilo and A. A. Hassanali

"Hydrogen Bonds and Life in the Universe"

Life 2018, 8, 1


The Journal of Chemical Physics 148, 102331 (2018)


A. V. Parafilo and M. N. Kiselev

"Tunable RKKY interaction in a double quantum dot nanoelectromechanical device"

Phys. Rev. B 97, 035418 (2018)


 V. E. Kravtsov, B. L. Altshuler and L. B. Ioffe

"Non-ergodic delocalized phase in Anderson model on Bethe lattice and regular graph"

Annals of Physics 389, 148-191 (2018)


E. Facco, M. d’Errico, A. Rodriguez and A. Laio

"Estimating the intrinsic dimension of datasets by a minimal neighborhood information"

Scientific Reports 7, 12140 (2017)


F. Rizzato, A. Rodriguez, X. Biarnés and A. Laio

"Predicting Amino Acid Substitution Probabilities Using Single Nucleotide Polymorphisms"


F. Anza and G. Chirco

"Fate of the hoop conjecture in quantum gravity"

Phys. Rev. Lett. 119, 231301 (2017)


M. Pino, V. E. Kravtsov, B. L. Altshuler and L. B. Ioffe

"Multifractal metal in a disordered Josephson junctions array"

Phys. Rev. B 96, 214205 (2017)


M. C. Strinati, D. Rossini, R. Fazio and A. Russomanno

"Resilience of hidden order to symmetry-preserving disorder"

Phys. Rev. B 96, 214206 (2017)


V. K. Varma, C. de Mulatier and M. Žnidarič

"Fractality in nonequilibrium steady states of quasiperiodic systems"

Phys. Rev. E 96, 032130 (2017)


R. J. Sánchez and V. K. Varma

"Finite-size anomalies of the Drude weight: Role of symmetries and ensembles"

Phys. Rev. B 96, 245117 (2017)


M. Teruzzi, F. Pellegrini, A. Laio and E. Tosatti

“Non-Equilibrium Markov State Modeling: Friction in 2D”

J.Chem. Phys. 147, 152721 (2017)


T. Fogarty, A. Usui, T. Busch, A. Silva and J. Goold

"Dynamical phase transitions and temporal orthogonality in one-dimensional hard-core bosons: from the continuum to the lattice"

New J. Phys. 19 113018 (2017)


G. Guarnieri, S. Campbell, J. Goold, S. Pigeon, B. Vacchiniand M. Paternostro

"Full counting statistics approach to the quantum non-equilibrium Landauer bound"

New J. Phys. 19 103038 (2017)


G. Mussardo, R. Bonsignori and A. Trombettoni

"Yang–Lee zeros of the Yang–Lee model"

J. Phys. A: Math. Theor. 50 484003 (2017)


A. Bastianello, A. De Luca and G. Mussardo

"Non Relativistic Limit of Integrable QFT with fermionic excitations"

J. Phys. A: Math. Theor. 50 234002 (2017)


 A.D. Shkop, S.I. Kulinich, A.V. Parafilo and I.V. Krive

"Interaction-induced gap in the electron spectrum and chiral effects in metallic single-wall carbon nanotubes"

Low Temp. Phys. 43, No.12, 1745-1753 (2017)


C. Muschik, M. Heyl, E. Martinez, T. Monz, P. Schindler, B. Vogell, M. Dalmonte, P. Hauke, R. Blatt and P. Zoller

"U(1) Wilson lattice gauge theories in digital quantum simulators"

New J. Phys. 10, 103020 (2017)


N. Seriani

"Ab-initio simulations of water splitting on hematite"

Journal of Physics: Condensed Matter 29, 463002 (2017)


P. Giannozzi, R. Gebauer et al.

"Advanced capabilities for materials modelling with Quantum ESPRESSO"

J. Phys.: Condens. Matter 29, 465901 (2017)


J. P. L. Faye and D. Sénéchal

"Pseudogap-to-metal transition in the anisotropic two-dimensional Hubbard model"

Phys. Rev. B 96, 195114 (2017)


A. Russomanno and G. E. Santoro

"Floquet resonances close to the adiabatic limit and the effect of dissipation"

J. Stat. Mech. 103104  (2017) 


V. K. Varma, A. Lerose, F. Pietracaprina, J. Goold and A. Scardicchio

"Energy diffusion in the ergodic phase of a many body localizable spin chain"

J. Stat. Mech.: Theory and Experiment, 053101 (2017)


M. C. Strinati, E. Cornfeld, D. Rossini, S. Barbarino, M. Dalmonte, R. Fazio, E. Sela and L. Mazza

"Laughlin-like States in Bosonic and Fermionic Atomic Synthetic Ladders"

Phys. Rev. X 7, 021033 (2017)


R. Rota, F. Storme, N. Bartolo, R. Fazio and C. Ciuti

"Critical behavior of dissipative two-dimensional spin lattices"

Phys. Rev. B 95, 134431 (2017)


S. Pappalardi, A. Russomanno, A. Silva and R. Fazio

"Multipartite entanglement after a quantum quench"

J. Stat. Mech.: Theory and Experiment, 053104 (2017)


B. Shi, Y. K. Shin, A. A. Hassanali and S. J. Singer

“Biomolecules at the amorphous silica/water interface: Binding and fluorescence anisotropy of peptides”

Colloids and Surfaces B: Biointerfaces 157, 83 (2017)


F. Iemini, L. da Silva Souza, T. Debarba, A. T. Cesário, T. O. Maciel and R. O. Vianna

"Dynamical matrix for arbitrary quadratic fermionic bath Hamiltonians and non-Markovian dynamics of one and two qubits in an Ising model environment"

Eur. Phys. J. D 71, 119 (2017)


F. Iemini, L. Mazza, L. Fallani, P. Zoller, R. Fazio and M. Dalmonte

"Majorana Quasiparticles Protected by Z2 Angular Momentum Conservation"

Phys. Rev. Lett. 118, 200404 (2017)


F. Iemini, C. Mora and L. Mazza

"Topological Phases of Parafermions: A Model with Exactly Solvable Ground States"

Phys. Rev. Lett. 118, 170402 (2017)


F. Campaioli, F. A. Pollock, F. C. Binder, L. Céleri, J. Goold, S. Vinjanampathy and K. Modi

"Enhancing the Charging Power of Quantum Batteries"

Phys. Rev. Lett. 118, 150601 (2017)


S. S. Ataei, M. R. Mohammadizadeh and N. Seriani

"Excitonic effects in the optical properties of hydrogenated anatase TiO2"

Phys. Rev. B 95, 155205 (2017)


J. Songkhao, R. Banerjee, S. Debnath, S. Narasimhan, N. Wannaprom, P. Vanalabhpatana, N. Seriani, R. Gebauer and P. Thamyongkit

"Structure-property relationship of π-extended boron-dipyrromethene derivatives towards optoelectronic applications"

Dyes and Pigments 142, 558 (2017)


P. Silvi, E. Rico, M. Dalmonte, F. Tschirsich and S. Montangero

"Finite- density phase diagram of a (1+1)-d non-abelian lattice gauge theory with tensor networks"

Quantum 1, 9 (2017)


P. Jacobson, M. Muenks, G. Laskin, O.O. Brovko, V.S. Stepanyuk, M. Ternes and K. Kern

"Potential energy-driven spin manipulation via a controllable hydrogen ligand"

Science Advances, 3(4), e1602060 (2017)


I. N. Sivkov, O. O. Brovko, I. Rungger and V. S. Stepanyuk

"Gate control of spin-polarized conductance in alloyed transitional metal nanocontacts"

Phys. Rev. B 95, 104405 (2017)


F. Pietracaprina, C. Gogolin and J. Goold

"Total correlations of the diagonal ensemble as a generic indicator for ergodicity breaking in quantum systems"

Phys. Rev. B 95, 125118 (2017)


G. Francica, J. Goold, F. Plastina and M. Paternostro

"Daemonic ergotropy: enhanced work extraction from quantum correlations"

npj Quantum Information 3, 12 (2017)


J. P. L. Faye and D. Sénéchal

"Interplay between d-wave superconductivity and a bond-density wave in the one-band Hubbard model"

Phys. Rev. B 95, 115127 (2017)


J. Settino, N. Lo Gullo, A. Sindona, J. Goold and F. Plastina

"Signatures of the single-particle mobility edge in the ground-state properties of Tonks-Girardeau and noninteracting Fermi gases in a bichromatic potential"

Phys. Rev. A 95, 033605 (2017)


I. Timrov, M. Markov, T. Gorni, M. Raynaud, O. Motornyi, R. Gebauer, S. Baroni and N. Vast

"Ab initio study of electron energy loss spectra of bulk bismuth up to 100 eV"

Phys. Rev. B 95, 094301 (2017)


T. Debarba, R. O. Vianna and F. Iemini

"Quantumness of correlations in fermionic systems"

Phys. Rev. A 95, 022325 (2017)


K. Ulman, M.-T. Nguyen, N. Seriani, S. Piccinin and R. Gebauer

"A Unified Picture of Water Oxidation on Bare and Gallium Oxide-Covered Hematite from Density Functional Theory"

ACS Catal. 7, 1793 (2017)


W. Casteels, R. Fazio and C. Ciuti

"Critical dynamical properties of a first-order dissipative phase transition"

Phys. Rev. A 95, 012128 (2017)


B. J. Dalton, J. Goold, B. M. Garraway and M. D. Reid

"Quantum entanglement for systems of identical bosons: II. Spin squeezing and other entanglement tests"

Physica Scripta 92, 023005 (2017)


B. J. Dalton, J. Goold, B. M. Garraway and M. D. Reid

"Quantum entanglement for systems of identical bosons: I. General features"

Physica Scripta 92, 023004 (2017)


G. Mossi, T. Parolini, S. Pilati and A. Scardicchio

"On the quantum spin glass transition on the Bethe lattice"

J. Stat. Mech. 013102 (2017)


L. Grisanti, D. Pinotsi, R. Gebauer, G. S. Kaminski Schierle and A. A. Hassanali

"A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils"

Phys. Chem. Chem. Phys. 19, 4030 (2017)


S. Pilati and V. K. Varma

"Localization of interacting Fermi gases in quasiperiodic potentials"

Phys. Rev. A 95, 013613 (2017)


G. C. Sosso, S. Caravati, G. Rotskoff, S. Valkuntanathan and A. A. Hassanali

"On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water"

J. Phys. Chem. A 121, 370-380 (2017)


C. Pinilla, M. Acuna-Rojas, N. Seriani and S. Scandolo

"An atomistic model of MgSiO3 perovskite and post-perovskite phases"

Computational Materials Science 126, 351 (2017)


E. German and R. Gebauer

"Hydrogen divacancy diffusion: a new perspective on H migration in MgH2 materials for energy storage"

Phys. Chem. Chem. Phys. 19, 1174 (2017)




















































Gebreyesus G., Ngabonziza P., Nagura J., Seriani N., Akin-Ojo O., Martin R.

Electronic structure and magnetism of the triple-layered ruthenate Sr4Ru3O10

Phys. Rev. B 105, 165119, (2022)