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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
Preprint
2021
Efficient exploration of Hamiltonian parameter space for optimal control of non-Markovian open quantum systems
Gerald E. Fux | Eoin P. Butler | Paul R. Eastham | Brendon W. Lovett | Jonathan Keeling
Journal article
2021
Efficient Exploration of Hamiltonian Parameter Space for Optimal Control of Non-Markovian Open Quantum Systems
Physical Review Letters (2021)
Gerald E. Fux | Eoin P. Butler | Paul R. Eastham | Brendon W. Lovett | Jonathan Keeling
Preprint
2021
Efficient exploration of Hamiltonian parameter space for optimal control of non-Markovian open quantum systems
Gerald E. Fux | Eoin Butler | Paul R. Eastham | Brendon W. Lovett | Jonathan Keeling
Journal article
2021
Overscreened Kondo problem with large spin and large number of orbital channels: Two distinct semiclassical limits in quantum transport observables
ArXiv (2021)
Karki, D. B. | Kiselev, Mikhail N.
Journal article
2021
Quantum thermal transport in the charged Sachdev-Ye-Kitaev model: Thermoelectric Coulomb blockade
ArXiv (2021)
I. Pavlov, Andrei | N. Kiselev, Mikhail
Journal article
2021
A cost-effective algae-based biosensor for water quality analysis: Development and testing in collaboration with peasant communities
Environmental Technology & Innovation (2021)
Cecilia Prudkin-Silva | Esteban Lanzarotti | Lucía Álvarez | María Belén Vallerga | Matías Factorovich | Uriel N. Morzan | Margarita Petrona Gómez | Natalia Paula González | Yamila Micaela Acosta | Felicitas Carrizo ...
Preprint
2021
Entanglement Transitions from Stochastic Resetting of Non-Hermitian Quasiparticles
Xhek Turkeshi | Marcello Dalmonte | Rosario Fazio | Marco Schirò
Journal article
2021
Quantum Simulations with Superconducting Networks
Journal of Superconductivity and Novel Magnetism (2021)
Fazio, R.
Journal article
2021
Superradiantlike dynamics of nuclear spins by nonadiabatic electron shuttling
Physical Review B (2021)
Fang, Y. | Wang, Y.-D. | Fazio, R. | Chesi, S.
Journal article
2021
Chaos and subdiffusion in infinite-range coupled quantum kicked rotors
Physical Review B (2021)
Russomanno, A. | Fava, M. | Fazio, R.
Journal article
2021
Dissipative phase transitions in the fully connected Ising model with p -spin interaction
Physical Review A (2021)
Wang, P. | Fazio, R.
Journal article
2021
Fragility of classical Hamiltonian period doubling to quantum fluctuations
Physical Review B (2021)
Khasseh, R. | Russomanno, A. | Fazio, R.
Journal article
2021
From nonequilibrium Green's functions to quantum master equations for the density matrix and out-of-time-order correlators: Steady-state and adiabatic dynamics
Physical Review B (2021)
Bhandari, B. | Fazio, R. | Taddei, F. | Arrachea, L.
Journal article
2021
Short hydrogen bonds enhance nonaromatic protein-related fluorescence.
Proceedings of the National Academy of Sciences of the United States of America (2021)
Stephens AD | Qaisrani MN | Ruggiero MT | Díaz Mirón G | Morzan UN | González Lebrero MC | Jones STE | Poli E | Bond AD | Woodhams PJ | Kleist EM | Grisanti L | Kaminski Schierle GS
Journal article
2021
Structure and dynamics of nanoconfined water and aqueous solutions.
The European physical journal. E, Soft matter (2021)
Corti HR | Appignanesi GA | Barbosa MC | Bordin JR | Calero C | Camisasca G | Elola MD | Franzese G | Gallo P | Hassanali A | Huang K | Laria D | Menéndez CA | Szleifer I
Journal article
2021
Phospholipids dock SARS-CoV-2 spike protein via hydrophobic interactions: a minimal in-silico study of lecithin nasal spray therapy.
The European physical journal. E, Soft matter (2021)
Qaisrani MN | Belousov R | Rehman JU | Goliaei EM | Girotto I | Franklin-Mergarejo R | Güell O | Hassanali A | Roldán É
Journal article
2021
Emergence of Electric Fields at the Water-C12E6 Surfactant Interface.
Journal of the American Chemical Society (2021)
Gera R | Bakker HJ | Franklin-Mergarejo R | Morzan UN | Falciani G | Bergamasco L | Versluis J | Sen I | Dante S | Chiavazzo E | Hassanali AA
Journal article
2021
On-off transition and ultrafast decay of amino acid luminescence driven by modulation of supramolecular packing.
iScience (2021)
Arnon ZA | Kreiser T | Yakimov B | Brown N | Aizen R | Shaham-Niv S | Makam P | Qaisrani MN | Poli E | Ruggiero A | Slutsky I | Hassanali A | Shirshin E | Levy D | Gazit E
Journal article
2021
Effects of intercalated water on the lubricity of sliding layers under load: a theoretical investigation on MoS2
2D Materials (2021)
Martina Stella | Christian D Lorenz | Maria Clelia Righi
Journal article
2021
Short hydrogen bonds enhance nonaromatic protein-related fluorescence
Proceedings of the National Academy of Sciences (2021)
Amberley D. Stephens | Muhammad Nawaz Qaisrani | Michael T. Ruggiero | Gonzalo Díaz Mirón | Uriel N. Morzan | Mariano C. González Lebrero | Saul T. E. Jones | Emiliano Poli | Andrew D. Bond | Philippa J. Woodhams ...
Journal article
2021
Sol-gel prepared Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) semiconductor thin films: Role of solvent removal processing temperature
Materials Science in Semiconductor Processing (2021)
Ahmoum, H. | Chelvanathan, P. | Su'ait, M.S. | Boughrara, M. | Li, G. | Gebauer, R. | Sopian, K. | Kerouad, M. | Amin, N. | Wang, Q.
Journal article
2021
Surface oxidation for enhancing the hydrogen evolution reaction of metal nitrides: A theoretical study on vanadium nitride
Materials Advances (2021)
Adimi, S. | Qi, W. | Thomas, T. | Gebauer, R. | Yang, M. | Ruan, S.
Journal article
2021
Accurate and flexible neural-network interatomic potential for mixed materials: TixZr1−xO2 from bulk to clusters and nanoparticles
Physical Review Materials (2021)
S. Rostami | N. Seriani | S. A. Ghasemi | R. Gebauer
Journal article
2021
Ab-initio, Monte Carlo and experimental investigation on structural, electronic and magnetic properties of Zn<inf>1-x</inf>Ni<inf>x</inf>O nanoparticles prepared via sol-gel method
Journal of Alloys and Compounds (2021)
Ahmoum, H. | Li, G. | Piao, Y. | Liu, S. | Gebauer, R. | Boughrara, M. | Su'ait, M.S. | Kerouad, M. | Wang, Q.
Preprint
2021
Emergent fractal phase in energy stratified random models
A. G. Kutlin | I. M. Khaymovich
Journal article
2021
Emergent fractal phase in energy stratified random models
SciPost Physics (2021)
Anton Kutlin | Ivan Khaymovich
Journal article
2021
Geometry controlled superconducting diode and anomalous Josephson effect triggered by the topological phase transition in curved proximitized nanowires
Physical Review B (2021)
A. A. Kopasov | A. G. Kutlin | A. S. Mel'nikov
Journal article
2021
Rotation in an Enantiospecific Self‐Assembled Array of Molecular Raffle Wheels
Angewandte Chemie (2021)
Dennis Meier | Abhishek K. Adak | Peter Knecht | Joachim Reichert | Sourav Mondal | Nithin Suryadevara | Senthil Kumar Kuppusamy | Keitaro Eguchi | Matthias K. Muntwiler | Francesco Allegretti | Mario Ruben | Johannes V. Barth ...
Preprint
2021
Phase diagram of Rydberg-dressed atoms on two-leg square ladders: Coupling supersymmetric conformal field theories on the lattice
Mikheil Tsitsishvili | Titas Chanda | Matteo Votto | Pierre Fromholz | Marcello Dalmonte | Alexander Nersesyan
Preprint
2021
Constraints induced delocalization
Piotr Sierant | Eduardo Gonzalez Lazo | Marcello Dalmonte | Antonello Scardicchio | Jakub Zakrzewski

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