Condensed Matter and Statistical Physics


Publication List 2019


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Soler M., Medagli B., Semrau M., Storici P., Bajc G., De Marco A., Laio A., Fortuna S.

A consensus protocol for the: In silico optimisation of antibody fragments

Chemical Communications 55, (2019)


Manzano G., Giorgi G.L., Fazio, R., Zambrini, R.

Boosting the performance of of small autonomous refrigerators via common environmental effects

New Journal of Physics 21, 123026 (16 December 2019).


Fazio R.

Quantum Superconducting Networks: From Josephson to QED Arrays

Springer Series in Materials Science 286, (2019)


Maggi F., Stuvard S., Scardicchio A.

Soap films with gravity and almost-minimal surfaces

Discrete and Continuous Dynamical Systems- Series A 39, (2019)


Scandolo S.

Machine learning provides realisticmodel of complex phase transition

Proceedings of the National Academy of Sciences of the United States of America 116, (2019)


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 1900054, (2019)


Mbeng G., Privitera L., Arceci L., Santoro G.

Dynamics of simulated quantum annealing in random Ising chains

Physical Review B 99, 064201, (1 February 2019)


Facco E., Pagnani A., Russo E., Laio A.

The intrinsic dimension of protein sequence evolution

PLoS Computational Biology 15, e1006767, (April 2019)


Marchetti F., Capelli R., Rizzato F., Laio A., Colombo G.

The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions

Journal of Physical Chemistry Letters 10, (4 April 2019)


Bonomi M., Bussi G., Camilloni C., Tribello G., Banáš P., Barducci A., Bernetti M., Bolhuis P., Bottaro S., Branduardi D., Capelli R., Carloni P., Ceriotti M., Cesari A., Chen H., Chen W., Colizzi F., De S., De La Pierre M., Donadio D., Drobot V., Ensing B., Ferguson A., Filizola M., Fraser J., Fu H., Gasparotto P., Gervasio F., Giberti F., Gil-Ley A., Giorgino T., Heller G., Hocky G., Iannuzzi M., Invernizzi M., Jelfs K., Jussupow A., Kirilin E., Laio A., Limongelli V., Lindorff-Larsen K., Löhr T., Marinelli F., Martin-Samos L., Masetti M., Meyer R., Michaelides A., Molteni C., Morishita T., Nava M., Paissoni C., Papaleo E., Parrinello M., Pfaendtner J., Piaggi P., Piccini G., Pietropaolo A., Pietrucci F., Pipolo S., Provasi D., Quigley D., Raiteri P., Raniolo S., Rydzewski J., Salvalaglio M., Sosso G., Spiwok V., Šponer J., Swenson D., Tiwary P., Valsson O., Vendruscolo M., Voth G., White A.

Promoting transparency and reproducibility in enhanced molecular simulations

Nature Methods 16, (1 August 2019)


Kyle W. East, Jocelyn C. Newton, Uriel N. Morzan, Yogesh B. Narkhede, Atanu Acharya, Erin Skeens, Gerwald Jogl, Victor S. Batista, Giulia Palermo, George P. Lisi

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

J. Am. Chem. Soc. 2020, 142 3, 1348-1358, (30 December 2019)


Ochoa R., Laio A., Cossio P.

Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations

Journal of Chemical Information and Modeling 59, (26 August 2019)


Wauters M., Russomanno A., Citro R., Santoro G., Privitera L.

Localization, Topology, and Quantized Transport in Disordered Floquet Systems

Physical Review Letters 123, 266601, (23 December 2019)


Erdman P., Taddei F., Peltonen J., Fazio R., Pekola J.

Fast and accurate Cooper pair pump

Physical Review B 100, 235428, (16 December 2019)


Parafilo A., Gorelik L., Kiselev M., Park H., Shekhter R.

Kondo effect in a Aharonov-Casher interferometer

Physical Review B 100, 235413, (9 December 2019)


Parolini T., Inack E., Giudici G., Pilati S.

Tunneling in projective quantum Monte Carlo simulations with guiding wave functions

Physical Review B 100, 214303, (6 December 2019)


Mbeng G., Arceci L., Santoro G.

Optimal working point in digitized quantum annealing

Physical Review B 100, 224201, (2 December 2019)


Rizzato F., Zamuner S., Pagnani A., Laio A.

A common root for coevolution and substitution rate variability in protein sequence evolution

Scientific Reports 9, 18032, (1 December 2019)


Karki D., Kiselev M.

Effects of strong electron interactions and resonant scattering on power output of nano-devices

Physical Review B 100, 195425, (22 November 2019)


Debarba T., Manzano G., Guryanova Y., Huber M., Friis N.

Work estimation and work fluctuations in the presence of non-ideal measurements

New Journal of Physics 21, 113002, (1 November 2019)


Erdman P., Cavina V., Fazio R., Taddei F., Giovannetti V.

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

New Journal of Physics 21, 103049, (29 October 2019)


Bonsignori R., Ruggiero P., Calabrese P.

Symmetry resolved entanglement in free fermionic systems

Journal of Physics A: Mathematical and Theoretical 52, 475302, (28 October 2019)


Sellitto M.

Cooperative transport with selective kinetic constraints

Physical Review E 100, 040102, (11 October 2019)


Sellitto M.

Nonequilibrium phase transition in constrained adsorption

Journal of Chemical Physics 151, 111102, (21 September 2019)


Sellitto M.

"Casimir-like forces in cooperative exclusion processes"

J. Phys. A: Math. Theor. 53, 01LT01  (2019)


T. Mendes-Santos, G. Giudici, M. Dalmonte, M. A. Rajabpour

"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


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 Physics21, 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 Physics21, 16083 - 16094 (2019)


S. PappalardiP. 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. ManzanoR. Fazio and E. Roldán

"Quantum Martingale Theory and Entropy Production"

Phys. Rev. Lett. 122, 220602 (2019)


M. Jugovac, F. Genuzio, E. Gonzalez LazoN. 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. GhoshN. 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)


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. C123, 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. PoliN. SerianiS. 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)

Soler M., Medagli B., Semrau M., Storici P., Bajc G., De Marco A., Laio A., Fortuna S.

A consensus protocol for the: In silico optimisation of antibody fragments

Chemical Communications 55, (2019)