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View the latest research published by CMSP scientists.

Preprint
2026
Quantum nuclear and band-dispersion effects recover near-UV absorption in short-hydrogen-bonded organic crystals
Jonas Hänseroth | Max Großmann | Malte Grunert | Ali Hassanali | Erich Runge | Christian Dreßler | Muhammad Nawaz Qaisrani
Journal article
2026
Generalized stochastic spin-wave theory for open quantum spin systems
Physical Review B (2026)
Zejian Li | Anna Delmonte | Rosario Fazio
Preprint
2026
Investigating causality between principal components in protein dynamics
Debarshi Banerjee | Ali Hassanali | Alessandro Laio
Journal article
2026
Good Practices for Simulation Studies Published in The Journal of Physical Chemistry B
The Journal of Physical Chemistry B (2026)
Christophe Chipot | Jiali Gao | Benoît Roux | Ali A. Hassanali | Barbara Kirchner | Joan-Emma Shea
Journal article
2026
Entanglement Transition in Unitary System-Bath Dynamics
Physical Review Letters (2026)
Bo Xing | Giuliano Chiriacò | Paola Cappellaro | Rosario Fazio | Dario Poletti
Preprint
2026
Transferable machine learning of excited-state dynamics with extremal pooling
Cesare Malosso | Wei Bin How | Gonzalo Díaz Mirón | Ali Hassanali | Michele Ceriotti
Journal article
2026
Computational Sciences from Africa and the African Diaspora
The Journal of Physical Chemistry C (2026)
Ali A Hassanali
Journal article
2026
Current precision in interacting hybrid normal-superconducting systems
Physical Review B (2026)
Nahual Sobrino | Fabio Taddei | Rosario Fazio | Michele Governale
Preprint
2026
Machine learning the non-radiative decay modes in photochemical processes
Debarshi Banerjee | Gonzalo Díaz Mirón | Alex Rodriguez | Ali Hassanali
Preprint
2026
Beyond the Virial Expansion: Microscopic Origins of Partial Molar Volumes in LiCl Solutions
Chun-Ting Lin | Diganta Dasgupta | Tinglu Yang | Cesare Malosso | Giulia Sormani | Colin Egan | Giovanni Bussi | Ali Hassanali | Paul S. Cremer
Preprint
2026
Causality in Liquid Water as a Hallmark of Emergent Glassy Dynamics
Leon Huet | Vittorio Del Tatto | Debarshi Banerjee | Alessandro Laio | Ali A. Hassanali
Preprint
2026
Glassy Arrest Behind the Apparent Second Liquid in Water
Florian Pabst | Ali Hassanali

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All publications
Journal article
2019
Nonlinear thermovoltage in a single-electron transistor
Physical Review B (2019)
Erdman, P.A. | Peltonen, J.T. | Bhandari, B. | Dutta, B. | Courtois, H. | Fazio, R. | Taddei, F. | Pekola, J.P.
Journal article
2019
Structural and dynamical heterogeneities at glutamine-water interfaces.
Physical chemistry chemical physics : PCCP (2019)
Qaisrani MN | Grisanti L | Gebauer R | Hassanali A
Journal article
2019
Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study.
The Journal of chemical physics (2019)
Rajabpour A | Seif R | Arabha S | Heyhat MM | Merabia S | Hassanali A
Journal article
2019
A computational study on the role of water and conformational fluctuations in Hsp90 in response to inhibitors.
Journal of molecular graphics & modelling (2019)
Shadrack DM | Swai HS | Hassanali A
Journal article
2019
Spontaneously Forming Dendritic Voids in Liquid Water Can Host Small Polymers.
The journal of physical chemistry letters (2019)
Ansari N | Laio A | Hassanali A
Journal article
2019
Structural and dynamical heterogeneities at glutamine-water interfaces
Physical Chemistry Chemical Physics (2019)
Qaisrani, M.N. | Grisanti, L. | Gebauer, R. | Hassanali, A.
Journal article
2019
Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study
Journal of Chemical Physics (2019)
Ulman, K. | Poli, E. | Seriani, N. | Piccinin, S. | Gebauer, R.
Journal article
2019
Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques
Computer Physics Communications (2019)
Brenes, M. | Varma, V.K. | Scardicchio, A. | Girotto, I.
Preprint
2019
Entanglement topological invariants for one-dimensional topological superconductors
Pierre Fromholz | Giuseppe Magnifico | Vittorio Vitale | Tiago Mendes-Santos | Marcello Dalmonte
Journal article
2019
Phase diagram of bipartite entanglement
Journal of Physics A: Mathematical and Theoretical (2019)
Facchi, P. | Parisi, G. | Pascazio, S. | Scardicchio, A. | Yuasa, K.
Preprint
2019
Parent Hamiltonian Reconstruction of Jastrow-Gutzwiller Wavefunctions
Xhek Turkeshi | Marcello Dalmonte
Journal article
2019
Soap films with gravity and almost-minimal surfaces
Discrete and Continuous Dynamical Systems- Series A (2019)
Maggi, F. | Stuvard, S. | Scardicchio, A.
Preprint
2019
Homogeneous Floquet time crystal protected by gauge invariance
Angelo Russomanno | Simone Notarnicola | Federica Maria Surace | Rosario Fazio | Marcello Dalmonte | Markus Heyl
Journal article
2019
Asymmetry in energy versus spin transport in certain interacting disordered systems
Physical Review B (2019)
Mendoza-Arenas, J.J. | Žnidarič, M. | Varma, V.K. | Goold, J. | Clark, S.R. | Scardicchio, A.
Preprint
2019
Negative absolute conductivity in photoexcited metals
Giuliano Chiriacò | Andrew J. Millis | Igor L. Aleiner
Preprint
2019
Breakdown of ergodicity in disordered U(1) lattice gauge theories
Giuliano Giudici | Federica Maria Surace | Joel Etaya Ebot | Antonello Scardicchio | Marcello Dalmonte
Preprint
2019
Real Time Dynamics and Confinement in the $\mathbb{Z}_{n}$ Schwinger-Weyl lattice model for 1+1 QED
Giuseppe Magnifico | Marcello Dalmonte | Paolo Facchi | Saverio Pascazio | Francesco V. Pepe | Elisa Ercolessi
Journal article
2019
Can we study the many-body localisation transition?
EPL (2019)
Panda, R.K. | Scardicchio, A. | Schulz, M. | Taylor, S.R. | Žnidarič, M.
Journal article
2019
Topological Devil’s staircase in atomic two-leg ladders
New Journal of Physics (2019)
Marcello Dalmonte
Journal article
2019
Diagnosing Potts criticality and two-stage melting in one-dimensional hard-core boson models
Physical Review B (2019)
Marcello Dalmonte
Journal article
2019
Floquet time crystals in clock models
Physical Review B (2019)
Marcello Dalmonte
Journal article
2019
Entanglement Hamiltonian of quantum critical chains and conformal field theories
Physical Review B (2019)
Marcello Dalmonte
Journal article
2019
Phase diagram and conformal string excitations of square ice using gauge invariant matrix product states
SciPost Physics (2019)
Marcello Dalmonte
Journal article
2019
String tension and robustness of confinement properties in the Schwinger-Thirring model
Physical Review D (2019)
Marcello Dalmonte
Journal article
2019
Entanglement-Guided Search for Parent Hamiltonians
Physical Review Letters (2019)
Marcello Dalmonte
Journal article
2019
Impact of jamming criticality on low-temperature anomalies in structural glasses
Proceedings of the National Academy of Sciences (2019)
Silvio Franz | Thibaud Maimbourg | Giorgio Parisi | Antonello Scardicchio
Journal article
2019
Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins
Physical Chemistry Chemical Physics (2019)
Kwang Hyok Jong | Yavar T. Azar | Luca Grisanti | Amberley D. Stephens | Saul T. E. Jones | Dan Credgington | Gabriele S. Kaminski Schierle | Ali Hassanali
Journal article
2019
Machine learning provides realistic model of complex phase transition
Proceedings of the National Academy of Sciences (2019)
Scandolo, Sandro
Journal article
2019
Ab initio study of the LiH phase diagram at extreme pressures and temperatures
Physical Review B (2019)
Scandolo, Sandro | Mauri, Francesco | Calandra, Matteo | Errea, Ion | Biswas, Sananda
Journal article
2019
Structural and magnetic response of CrI<inf>3</inf> monolayer to electric field
Physica B: Condensed Matter (2019)
Ghosh, S. | Stojić, N. | Binggeli, N.

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