Condensed Matter and Statistical Physics


Publication List 2020


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Carli M., Sormani G., Rodriguez A., Laio A.

Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations

Journal of Physical Chemistry Letters (2020)


R. J. Valencia Tortora, P. Calabrese, and M. Collura

Relaxation of the order-parameter statistics and dynamical confinement

EPL 132, 50001 (2020)


Manzano G., Sánchez R., Silva R., Haack G., Brask J. B., Brunner N., and Potts P.P.

Hybrid thermal machines: Generalized thermodynamic resources for multitasking

Phys. Rev. Research 2, 043302 (2020)


Liang P., Fazio R., Chesi S.

Time crystals in the driven transverse field Ising model under quasiperiodic modulation

New Journal of Physics 22, 125001, (December 2020)


Wauters M.M., Mbeng G.B., Santoro G.E.

Polynomial scaling of the quantum approximate optimization algorithm for ground-state preparation of the fully connected p -spin ferromagnet in a transverse field

Physical Review A 102, 062404, (3 December 2020)


Micallo T., Vitale V., Dalmonte M., Fromholz P.

Topological entanglement properties of disconnected partitions in the Su-Schrieffer-Heeger model

SciPost Phys. Core 3, 012, (2020)


Collura M., De Luca A., Calabrese P., Dubail J.

Domain wall melting in the spin-12 XXZ spin chain: Emergent Luttinger liquid with a fractal quasiparticle charge

Phys. Rev. B 102, 180409(R), (2020)


Turkeshi X., Ruggiero P., Alba V., Calabrese P.

Entanglement equipartition in critical random spin chains

Phys. Rev. B 102, 014455, (2020)


Andreas Elben, Richard Kueng, Hsin-Yuan (Robert) Huang, Rick van Bijnen, Christian Kokail, Marcello Dalmonte, Pasquale Calabrese, Barbara Kraus, John Preskill, Peter Zoller, and Benoît Vermersch

Mixed-State Entanglement from Local Randomized Measurements

Phys. Rev. Lett. 125, 200501 , (2020)


Calabrese P.

Entanglement spreading in non-equilibrium integrable systems

SciPost Phys. Lect. Notes 20, (2020)


Ilieva N.I., Galvanetto N., Allegra M., Brucale M., Laio A.

Automatic classification of single-molecule force spectroscopy traces from heterogeneous samples

Bioinformatics, btaa626, (2020)


Ochoa R., Laio A., Cossio P.

Computational Design of Peptides Bound to the Major Histocompatibility Complex Class II

Biophysical Journal 118, 359a, (2020)


Khaymovich I. M., Kravtsov V. E. , Altshuler B. L., Ioffe L. B.

Fragile extended phases in the log-normal Rosenzweig-Porter model

Phys. Rev. Research 2, 043346, (2020)


Karki D. B. , Kiselev M. N.

Quantum thermoelectric and heat transport in the overscreened Kondo regime: Exact conformal field theory results

Phys. Rev. B 102, 241402(R), (2020)


Anzola M., Sissa C., Painelli A., Hassanali A.,Grisanti L.

Understanding Förster Energy Transfer through the Lens of Molecular Dynamics

Journal of Chemical Theory and Computation 16, 12,7281-7288, (2020)


Horváth D.X., Calabrese P.

Symmetry resolved entanglement in integrable field theories via form factor bootstrap

Journal of High Energy Physics 2020, 131, (November 2020)


Wu K.D., Bäumer E., Tang J.F., Hovhannisyan K.V., Perarnau-Llobet M., Xiang G.Y., Li C.F., Guo G.C.

Minimizing Backaction through Entangled Measurements

Physical Review Letters 125, 210401, (16 November 2020)


Sellitto M.

Fluctuation-induced forces in driven systems with a diffusivity anomaly

Physical Review E 102, 050101, (16 November 2020)


Ayrinhac S., Robinson V.N., Decremps F., Gauthier M., Antonangeli D., Scandolo S., Morand M.

High-pressure transformations in liquid rubidium

Physical Review Materials 4, 113611, (30 November 2020)


Doimo D., Glielmo A., Ansuini A., Laio A.

Hierarchical nucleation in deep neural networks

Advances in Neural Information Processing Systems 33, (2020)


Tosatti E.

Exotic helium compounds and new states under planetary conditions

National Science Review, 7, 1520, (2020)


Bhandari B., Alonso P.T., Taddei F., Von Oppen F., Fazio R., Arrachea L.

Geometric properties of adiabatic quantum thermal machines

Physical Review B 102, 155407, (October 2020)


Russomanno A., Fava M., Fazio R.

Nonergodic behavior of the clean Bose-Hubbard chain

Physical Review B 102, 144302, (October 2020)


Chia A., Hajdušek M., Nair R., Fazio R., Kwek L.C., Vedral V.

Phase-Preserving Linear Amplifiers Not Simulable by the Parametric Amplifier

Physical Review Letters 125, 163603, (October 2020)


Lerose A., Pappalardi S.

Bridging entanglement dynamics and chaos in semiclassical systems

Physical Review A 102, 032404, (September 2020)


Lagnese G., Surace F.M., Kormos M., Calabrese P.

Confinement in the spectrum of a heisenberg-ising spin ladder

Journal of Statistical Mechanics: Theory and Experiment 2020, 093106, (September 2020)


Scopa S., Piroli L., Calabrese P.

One-particle density matrix of a trapped Lieb–Liniger anyonic gas

Journal of Statistical Mechanics: Theory and Experiment 2020, 093103, (September 2020)


Wauters, Matteo M. and Panizon, Emanuele and Mbeng, Glen B. and Santoro, Giuseppe E.

Reinforcement-learning-assisted quantum optimization

Phys. Rev. Research 2, 033446, (September 2020)


Bertini B., Calabrese P.

Prethermalization and thermalization in entanglement dynamics

Physical Review B 102, 094303, (1 September 2020)


Piroli L., Scopa S., Calabrese P.

Determinant formula for the field form factor in the anyonic Lieb-Liniger model

Journal of Physics A: Mathematical and Theoretical 53, 405001, (9 October 2020)


Grisanti L., Sapunar M., Hassanali A., Došlić N.

Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study

Journal of the American Chemical Society 142, (21 October 2020)


Belousov R., Qaisrani M.N., Hassanali A., Roldán É.

First-passage fingerprints of water diffusion near glutamine surfaces

Soft matter 16, (21 October 2020)


Allegra M., Facco E., Denti F., Laio A., Mira A.

Data segmentation based on the local intrinsic dimension

Scientific Reports 10, 16449, (1 December 2020)


Deogratias G., Al-Qurashi O.S., Wazzan N., Seriani N., Pogrebnaya T., Pogrebnoi A.

Investigation of optoelectronic properties of triphenylamine-based dyes featuring heterocyclic anchoring groups for DSSCs’ applications: a theoretical study

Structural Chemistry 31, (1 December 2020)



Offei-Danso A., Surace F. M., Iemini F., Russomanno A., Fazio R.

Quantum clock models with infinite-range interactions

Journal of Statistical Mechanics: Theory and Experiment, 2020, 073107, (July 2020)


P. Fromholz, P. Lecheminant

Symmetry-protected topological phases in the SU(N) Heisenberg spin chain: A Majorana fermion approach

Phys. Rev. B 102, 094410, (8 September 2020)


Cuny J., Cerda Calatayud J., Ansari N., Hassanali A., Rapacioli M., Simon A.

Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges

J. Phys. Chem. B 2020, 124, 34, 7421–7432, (2020)


Hovhannisyan K. V., Barra F., Imparato A.

Charging assisted by thermalization

Phys. Rev. Research 2, 033413 (2020)


Murciano S., Ruggiero P., Calabrese P.

Symmetry resolved entanglement in two-dimensional systems via dimensional reduction

Journal of Statistical Mechanics: Theory and Experiment 2020, 083102, (August 2020)


Tiwari S., Gebauer R.

Optical Optimization of Thin-Film Polymer Solar Cells

In Recent Advances in Thin Films, 507-547, (2020)


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, (2020)


Modak R., Alba V., Calabrese P.

Entanglement revivals as a probe of scrambling in finite quantum systems

Journal of Statistical Mechanics: Theory and Experiment 2020, 083110, (August 2020)


S. Modesti, P. M. Sheverdyaeva, P. Moras, C. Carbone, M. Caputo, M. Marsi, E. Tosatti , G. Profeta

Low-temperature insulating phase of the Si(111)–7×7 surface

Phys. Rev. B 102, 035429, (July 2020)


Armillotta F., Pividori A., Stredansky M., Seriani N., Vesselli E.

Dioxygen at Biomimetic Single Metal-Atom Sites: Stabilization or Activation? The Case of CoTPyP/Au(111)

Top Catal, (2020)


Turkeshi .X, Fazio R., Dalmonte M.

Measurement-induced criticality in (2+1)-d hybrid quantum circuits

Phys. Rev. B 102, 014315, (July 2020)


Ahamed I., Seriani N., Gebauer R., Kashyap A.

Heterostructures of ε-Fe2O3 and α-Fe2O3: insights from density functional theory

RSC Adv. 10, 27474–27480, (2020)


Bañuls M.C., Blatt R., Catani J., Celi A., Cirac J.I., Dalmonte M., Fallani L., Jansen K., Lewenstein M., Montangero S., Muschik C.A., Reznik B., Rico E., Tagliacozzo L., Van Acoleyen K., Verstraete F., Wiese U.J., Wingate M., Zakrzewski J., Zoller P.

Simulating lattice gauge theories within quantum technologies

European Physical Journal D 74, 165, (1 August 2020)


Murciano S., Di Giulio G., Calabrese P.

Entanglement and symmetry resolution in two dimensional free quantum field theories

Journal of High Energy Physics 2020, 73, (1 August 2020)


Cortes H.A., Barral M.A., Seriani N., Corti H.R., Vildosola V.L.

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

ChemCatChem 12, (20 August 2020)


Poaty L.T., M'Passi-Mabiala B., Gebauer R.

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

Computational Condensed Matter 24, e00496, (September 2020)


Khasseh R., Russomanno A., Schmitt M., Heyl M., Fazio R.

Discrete truncated Wigner approach to dynamical phase transitions in Ising models after a quantum quench

Physical Review B 102, 014303, (1 July 2020)


Morzan U. N., Videla P. E., Soley M. B., Nibbering E. T. J., Batista V. S.

Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X‐Ray Absorption Spectroscopy

Angewandte Chemie International Edition, (July 2020).


Surace F. M., Mazza P. P., Giudici G., Lerose A., Gambassi A., Dalmonte M.

Lattice Gauge Theories and String Dynamics in Rydberg Atom Quantum Simulators

Phys. Rev. X 10, 021041, (2020).


Magnifico G., Dalmonte M., Facchi P., Pascazio S., Pepe F. V., Ercolessi E.

Real Time Dynamics and Confinement in the Zn Schwinger-Weyl lattice model for 1+1 QED

Quantum 4, 281 (2020).


Nersesyan A. A.

Phase diagram of an interacting staggered Su-Schrieffer-Heeger two-chain ladder close to a quantum critical point

Phys. Rev. B 102, 045108, (July 2020)


Angelone A., Ying T., Mezzacapo F., Masella G., Dalmonte M., Pupillo G.

Nonequilibrium scenarios in cluster-forming quantum lattice models

Physical Review A 101, 063603, (June 2020)


Capizzi L., Ruggiero P., Calabrese P.

Symmetry resolved entanglement entropy of excited states in a CFT

Journal of Statistical Mechanics: Theory and Experiment 2020, 073101, (July 2020)


T. K. T. Nguyen, M. N. Kiselev

Thermoelectric Transport in a Three-Channel Charge Kondo Circuit

Phys. Rev. Lett. 125, 026801, (8 July 2020)


German E., Gebauer R.

Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction?

Applied Surface Science 528, 146591, (30 October 2020)


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

Pile-up transmission and reflection of topological defects at grain boundaries in colloidal crystals

Nature Communications 11, 3079, (2020)


J. Zhang, P. Calabrese, M. Dalmonte, and M. A. Rajabpour

Lattice Bisognano-Wichmann modular Hamiltonian in critical quantum spin chains

SciPost Phys. Core 2, 007 (2020)


Alam K., Seriani N., Sen P.

Catalytic properties of α-MnO2 for Li-air battery cathodes: A density functional investigation

Physical Chemistry Chemical Physics 22, (7 May 2020)


Capponi S., Fromholz P., Lecheminant P., Totsuka K.

Symmetry-protected topological phases in a two-leg SU(N) spin ladder with unequal spins

Physical Review B 101, 195121, (15 May 2020)


Pruteanu C.G., Naden Robinson V., Ansari N., Hassanali A., Scandolo S., Loveday J.S.

Squeezing Oil into Water under Pressure: Inverting the Hydrophobic Effect

The journal of physical chemistry letters 11, (18 June 2020)


Kumar N., Seriani N., Gebauer R.

DFT insights into electrocatalytic CO2 reduction to methanol on α-Fe2O3(0001) surfaces

Physical chemistry chemical physics : PCCP 22, (21 May 2020)


Calabrese P., Collura M., Di Giulio G., Murciano S.

Full counting statistics in the gapped XXZ spin chain

EPL 129, 60007, (2020)


Es'haqi-Sani N., Manzano G., Zambrini R., Fazio R.

Synchronization along quantum trajectories

Phys. Rev. Research 2, 023101, (2020)


Turkeshi X., Dalmonte M.

Parent Hamiltonian reconstruction of Jastrow-Gutzwiller wavefunctions

SciPost. 8, 042 (2020).


Arceci L., Kohn L., Russomanno A., Santoro G.E.

Dissipation assisted Thouless pumping in the Rice-Mele model

Journal of Statistical Mechanics: Theory and Experiment 2020, 043101, (April 2020)


Ruggiero P., Calabrese P., Doyon B., Dubail J.

Quantum Generalized Hydrodynamics

Physical Review Letters 124, 140603, (10 April 2020)


Allegra M., Seyed-Allaei S., Schuck N.W., Amati D., Laio A., Reverberi C.

Brain network dynamics during spontaneous strategy shifts and incremental task optimization

NeuroImage 217, 116854, (15 August 2020)


Protopopov I.V., Panda R.K., Parolini T., Scardicchio A., Demler E., Abanin D.A.

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

Physical Review X 10, 011025, (March 2020)


Notarnicola S., Silva A., Fazio R., Russomanno A.

Slow heating in a quantum coupled kicked rotors system

Journal of Statistical Mechanics: Theory and Experiment 2020, 024008, (2020)


Bussi G., Laio A.

Using metadynamics to explore complex free-energy landscapes

Nature Reviews Physics 2, (1 April 2020)


Ghosh S., Mammen N., Narasimhan S.

Support work function as a descriptor and predictor for the charge and morphology of deposited Au nanoparticles

Journal of Chemical Physics 152, 144704, (14 April 2020)


Paschal C., Pogrebnoi A., Pogrebnaya T., Seriani N.

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

SN Appl. Sci. 2, 718 (2020)


Murciano S., Di Giulio G., Calabrese P.

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

SciPost Phys. 8, 046, (2020)


Falciani G., Franklin R., Cagna A., Sen I., Hassanali A., Chiavazzo E.

A multi-scale perspective of gas transport through soap-film membranes

Mol. Syst. Des. Eng., (2020)


Fromholz P., Magnifico G., Vitale V., Mendes-Santos T., Dalmonte M.

Entanglement topological invariants for one-dimensional topological superconductors

Physical Review B 101, 085136, (15 February 2020)


Thanh Thi Kim Nguyen, Mikhail N. Kiselev

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

Communications in Physics 30, 1, (2020)


Schulz M., Taylor S. R., Scardicchio A., Žnidarič M.

Phenomenology of anomalous transport in disordered one-dimensional systems

Journal of Statistical Mechanics: Theory and Experiment 2020, 2, 023107 (2020)


Panda R. K., Scardicchio A., Schulz M., Taylor S. R., Žnidarič M.

Can we study the many-body localisation transition?

Europhysics Letters 128,6, 67003 (2020)


Turkeshi X., Ruggiero P., Calabrese P.

Negativity spectrum in the random singlet phase

Physical review B 101, 064207, (26 February 2020)


Cogollo-Olivo B.H., Biswas S., Scandolo S., Montoya J.A.

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

Physical review letters 124, (6 March 2020)


Kohn L., Silvi P., Gerster M., Keck M., Fazio R., Santoro G.E., Montangero S.

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

Physical Review A 101, 023617, (February 2020)


Ansari N., Onat B., Sosso G.C., Hassanali A.

Insights into the Emerging Networks of Voids in Simulated Supercooled Water

The journal of physical chemistry. B 124, (19 March 2020)


Naden Robinson V., Hermann A.

Plastic and superionic phases in ammonia-water mixtures at high pressures and temperatures

Journal of Physics Condensed Matter 32, 184004, (1 May 2020)


Elsayed W., Abdalla S., Seriani N.

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

Physica Status Solidi (B) Basic Research 257, 1900054, (1 March 2020)


Jaseem N., Hajdušek M., Vedral V., Fazio R., Kwek L.C., Vinjanampathy S.

Quantum synchronization in nanoscale heat engines

Physical Review E 101, 020201, (February 2020)


Ghosh S., Stojić N., Binggeli N.

Comment on "Magnetic skyrmions in atomic thin CrI 3 monolayer" [Appl. Phys. Lett. 114, 232402 (2019)]

Applied Physics Letters 116, 086101, (24 February 2020)


Mendes-Santos T., Giudici G., Fazio R., Dalmonte M.

Measuring von Neumann entanglement entropies without wave functions

New Journal of Physics 22, 013044, (2020)


Fava M., Fazio R., Russomanno A.

Many-body dynamical localization in the kicked Bose-Hubbard chain

Physical Review B 101, 064302, (1 February 2020)


Brenes M., Pappalardi S., Goold J., Silva A.

Multipartite Entanglement Structure in the Eigenstate Thermalization Hypothesis

Physical review letters 124, (31 January 2020)


Zhang J., Calabrese P.

Subsystem distance after a local operator quench

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


Sormani G., Rodriguez A., Laio A.

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)


Poli E., Jong K., Hassanali A.

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

Nature Communications 11, 901, (2020)


Parisi G., Pascazio S., Pietracaprina F., Ros V., Scardicchio A.

Anderson transition on the Bethe lattice: An approach with real energies

Journal of Physics A: Mathematical and Theoretical 53, 014003, (2020)


Shadrack D., Swai H., Hassanali A.

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

Journal of Molecular Graphics and Modelling 96, 107510, (May 2020)


Santos-Putungan A., Stojić N., Binggeli N., Paraan F.

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

Materials Today Communications 22, 100712, (March 2020)


Deogratias G., Seriani N., Pogrebnaya T., Pogrebnoi A.

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

Journal of Molecular Graphics and Modelling 94, 107480, (January 2020)