Condensed Matter and Statistical Physics


Publication List 2021


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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, (June 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)


Shaidu Y., Küçükbenli E., Lot R., Pellegrini F., Kaxiras E., de Gironcoli S.

A systematic approach to generating accurate neural network potentials: the case of carbon

npj Computational Materials 7, 52, (December 2021)


Marini G., Sanna A., Pellegrini C., Bersier C., Tosatti E., Profeta G.

Superconducting Chevrel phase PbMo6 S8 from first principles

Physical Review B 103, 144507, (9 April 2021)


C. Prudkin-Silva, E. Lanzarotti, L. Alvarez, M. B. Vallerga, M. Factorovich, U. N. Morzan, M. Petrona Gómez, N. P. Gonzalez, Y. M. Acosta, F. Carrizo, E. Carrizo, S. Galeano, M. G. Lagorio, A. Beatriz Juárez, R. E. Ithuralde, J. M. Romero, C. M. Urdampilleta.

A cost-effective algae-based biosensor for water quality analysis: Development and testing in collaboration with peasant communities

Environ. Technol. Innov. 22, 101479, 2352-1864, (2021)


Federica Maria Surace, Matteo Votto, Eduardo Gonzalez Lazo, Alessandro Silva, Marcello Dalmonte, and Giuliano Giudici

Exact many-body scars and their stability in constrained quantum chains

Phys. Rev. B 103, 104302, (2021)


Carli M., Laio A.

Statistically unbiased free energy estimates from biased simulations

Molecular Physics e1899323, (2021)


T. Mendes-Santos, X. Turkeshi, M. Dalmonte, and Alex Rodriguez

Unsupervised Learning Universal Critical Behavior via the Intrinsic Dimension

Phys. Rev. X 11, 0110405, (2021)


Dainius Kilda, Alberto Biella, Marco Schiro, Rosario Fazio, Jonathan Keeling

On the stability of the infinite Projected Entangled Pair Operator ansatz for driven-dissipative 2D lattices

SciPost Phys. Core 4, 005, (2021)


Pei Wang and Rosario Fazio

Dissipative phase transitions in the fully connected Ising model with p-spin interaction

Phys. Rev. A 103, 013306, (2021)


Gonzalo Manzano, Diego Subero, Olivier Maillet, Rosario Fazio, Jukka P. Pekola, and Édgar Roldán

Thermodynamics of Gambling Demons

Phys. Rev. Lett. 126, 080603, (2021)


Bhamu, K. C. and Haque, Enamul and Praveen, C. S. and Kumar, Nandha and Yumnam, G. and Hossain, Md. Anwar and Sharma, Gautam

Improving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight

RSC Adv., 11, 5521-5528, (2021)


R. Bonsignori and P. Calabrese

Boundary effects on symmetry resolved entanglement

J. Phys. A 54, 015005, (2021)


G. Parez, R. Bonsignori, and P. Calabrese

Quasiparticle dynamics of symmetry resolved entanglement after a quench: the examples of conformal field theories and free fermions

Phys. Rev. B 103, L041104, (2021)


Ahmadabadi I., Esfandiar A., Hassanali A.,Reza Ejtehadi M.

Structural and dynamical fingerprints of the anomalous dielectric properties of water under confinement

Phys. Rev. Materials 5, 024008, (2021)


Singh D., Gupta S.K., Seriani N., Lukačević I., Sonvane Y., Gajjar P.N., Ahuja R.

Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu4systems through CO2hydrogenation

Sustainable Energy and Fuels 5, (21 January 2021)


A. Lainé, A. Vanossi, A. Niguès, E. Tosatti, A. Siria

Amplitude nanofriction spectroscopy

Nanoscale 13, 1955, (2021)


Xin Cao, Emanuele Panizon, Andrea Vanossi, Nicola Manini, Erio Tosatti, and Clemens Bechinger

Pervasive orientational and directional locking at geometrically heterogeneous sliding interfaces

Phys. Rev. E 103, 012606, (2021)


Maria d’Errico and Elena Facco and Alessandro Laio and Alex Rodriguez

Automatic topography of high-dimensional data sets by non-parametric Density Peak clustering

Information Sciences, (2021)


Xu, Wan and Robinson, Victor Naden and Zhang, Xiao and Zhang, Hui-Chao and Donnelly, Mary-Ellen and Dalladay-Simpson, Philip and Hermann, Andreas and Liu, Xiao-Di and Gregoryanz, Eugene

Ionic Phases of Ammonia-Rich Hydrate at High Densities

Phys. Rev. Lett. 126, 015702, (2021)


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

Proton strings and rings in atypical nucleation of ferroelectricity in ice

Proc. Nat’l Acad. Sci. US 118 N.1 e2018837118 (2021)


Deb J., Seriani N., Sarkar U.

Ultrahigh carrier mobility of penta-graphene: A first-principle study

Physica E: Low-Dimensional Systems and Nanostructures 127, 114507, (March 2021)


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

PARCE: Protocol for Amino acid Refinement through Computational Evolution

Computer Physics Communications 260, 107716, (March 2021)


Y. Wang, J. Wang, A. Hermann, C. Liu, H. Gao, E. Tosatti, H-T. Wang, D. Xing,J. Sun

Electronically Driven 1D Cooperative Diffusion in a Simple Cubic Crystal

Phys. Rev. X 11, 011006 (2021)