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View the latest research published by CMSP scientists.

Journal article
2026
Hydrogen-bond donor–acceptor imbalance in low-frequency terahertz water spectra
The Journal of Chemical Physics (2026)
Lilian Najm Alsayed | Florian Pabst | Giuseppe Cassone | Ali Hassanali | Fabio Novelli
Journal article
2026
Mapping Collective Electron-Density Rearrangements at Oil–Water Interfaces Using Optimal Transport
Journal of Chemical Theory and Computation (2026)
Gabriele Amante | Klaudia Mráziková | Gabriele Centi | Sylvie Roke | Ali Hassanali | Giuseppe Cassone
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
Machine Learning the Nonradiative Decay Modes in Photochemical Processes
Journal of Chemical Theory and Computation (2026)
Debarshi Banerjee | Gonzalo Díaz Mirón | Alex Rodriguez | Ali Hassanali
Journal article
2026
Anomalously fast transport in nonintegrable lattice gauge theories
Physical Review B (2026)
Devendra Singh Bhakuni | Roberto Verdel | Jean-Yves Desaules | Maksym Serbyn | Marko Ljubotina | Marcello Dalmonte
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
Unraveling the Emergence of Slow Dynamics in U(1) Lattice Gauge Theories
Riccardo Andreoni | Zala Lenarčič | Zeno Bacciconi | Antonello Scardicchio | Marcello Dalmonte | Devendra Singh Bhakuni
Preprint
2026
Reinterpreting ultrafast experiments on supercooled water: Glass transition versus liquid-liquid criticality
Florian Pabst | Ali Hassanali
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
Journal article
2026
Complexity of Quantum Trajectories
PRX Quantum (2026)
Luca Lumia | Emanuele Tirrito | Mario Collura | Fabian H. L. Essler | Rosario Fazio
Journal article
2026
Hydrogen Detachment in Diprotic Aromatics: O–H versus N–H Photodissociation in m-Aminophenol
The Journal of Physical Chemistry Letters (2026)
Facundo Tarasi | Gonzalo Díaz Mirón | Debarshi Banerjee | Damián A. Scherlis
Preprint
2026
Pulling strings in real time: flux tube dynamics in (2+1)-d $\mathbb{Z}_2$-Higgs Gauge Theories
Zeno Bacciconi | Martina Frau | Luca Tagliacozzo | Michele Caselle | Marcello Dalmonte

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All publications
Journal article
2022
Influence of Defects on the Valley Polarization Properties of Monolayer MoS2 Grown by Chemical Vapor Deposition
ArXiv (2022)
Mujeeb, Faiha | Chakrabarti, Poulab | Mahamiya, Vikram | Shukla, Alok | Dhar, Subhabrata
Journal article
2022
Scandium decorated C24 fullerene as high capacity reversible hydrogen storage material: Insights from density functional theory simulations
Applied Surface Science (2022)
Vikram Mahamiya
Journal article
2022
Potential reversible hydrogen storage in Li-decorated carbon allotrope PAI-Graphene: A first-principles study
International Journal of Hydrogen Energy (2022)
Vikram Mahamiya | Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Journal article
2022
Prediction of a novel 2D porous boron nitride material with excellent electronic, optical and catalytic properties
Physical Chemistry Chemical Physics (2022)
Vikram Mahamiya
Journal article
2022
Influence of compressive strain on the hydrogen storage capabilities of graphene: a density functional theory study
Bulletin of Materials Science (2022)
Mahamiya, V. | Shukla, A. | Garg, N. | Chakraborty, B.
Journal article
2022
TD-DFT modeling of electronic spectra of biliverdins in different environments
International Journal of Quantum Chemistry (2022)
Gonzalo Díaz Mirón | Darío A. Estrin | Sara Elizabeth Bari | Mariano Camilo González Lebrero
Preprint
2022
Tensor network simulation of chains of non-Markovian open quantum systems
Gerald E. Fux | Dainius Kilda | Brendon W. Lovett | Jonathan Keeling
Journal article
2022
Using the Environment to Understand non-Markovian Open Quantum Systems
Quantum (2022)
Gerald Fux
Journal article
2022
Seven Etudes on dynamical Keldysh Model
ArXiv (2022)
Efremov, D.V. | Kiselev, M.N.
Journal article
2022
Multistage Kondo effect in a multiterminal geometry: A modular quantum interferometer
ArXiv (2022)
Karki, D. B | Pavlov, Andrei I | Kiselev, Mikhail N
Journal article
2022
Heat Conductance Oscillations in Two Weakly Connected Charge Kondo Circuits
Communications in Physics (2022)
Thanh Thi Kim Nguyen | Mikhail Kiselev
Journal article
2022
Thermoelectrics of a two-channel charge Kondo circuit: Role of electron-electron interactions in a quantum point contact
Physical Review B (2022)
A. V. Parafilo | T. K. T. Nguyen | M. N. Kiselev
Journal article
2022
Entanglement Hamiltonians: From Field Theory to Lattice Models and Experiments
Annalen der Physik (2022)
Marcello Dalmonte | Viktor Eisler | Marco Falconi | Benoît Vermersch
Preprint
2022
Elastic stripes formation at electronic transitions
Giuliano Chiriacò | Andrew J. Millis
Journal article
2022
Optimal quantum annealing: A variational shortcut-to-adiabaticity approach
Physical Review A (2022)
Passarelli, G. | Fazio, R. | Lucignano, P.
Journal article
2022
Correlation engineering via nonlocal dissipation
Physical Review Research (2022)
Seetharam, K. | Lerose, A. | Fazio, R. | Marino, J.
Journal article
2022
Statistical physics of inhomogeneous transport: Unification of diffusion laws and inference from first-passage statistics.
Physical review. E (2022)
Belousov R | Hassanali A | Roldán É
Journal article
2022
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems
Journal of Chemical Theory and Computation (2022)
Martina Stella | Kritam Thapa | Luigi Genovese | Laura E. Ratcliff
Journal article
2022
Probing disorder in 2CzPN using core and valence states
Physical Chemistry Chemical Physics (2022)
Nathalie K. Fernando | Martina Stella | William Dawson | Takahito Nakajima | Luigi Genovese | Anna Regoutz | Laura E. Ratcliff
Journal article
2022
Hematite surfaces: Band bending and local electronic states
Physical Review Materials (2022)
Ralph Gebauer | S. Rostami | N. Seriani | R. Gebauer
Journal article
2022
Oxygen vacancy suppress room temperature ferromagnetism of p-type Cu doped ZnO: Synthesis and density functional theory
Micro and Nanostructures (2022)
Ralph Gebauer | Hassan Ahmoum | Guojian Li | Mourad Boughrara | Ralph Gebauer | Mohd Sukor Su'ait | Karim Tanji | Mohamed Kerouad | Qiang Wang
Journal article
2022
Blue and black phosphorene on metal substrates: a density functional theory study
Journal of Physics: Condensed Matter (2022)
Abhishek K Adak | Devina Sharma | Shobhana Narasimhan
Journal article
2022
Localization in the Discrete Non-linear Schrödinger Equation and Geometric Properties of the Microcanonical Surface
Journal of Statistical Physics (2022)
Claudio Arezzo | Federico Balducci | Riccardo Piergallini | Antonello Scardicchio | Carlo Vanoni
Journal article
2022
Localization and Melting of Interfaces in the Two-Dimensional Quantum Ising Model
Physical Review Letters (2022)
Federico Balducci | Andrea Gambassi | Alessio Lerose | Antonello Scardicchio | Carlo Vanoni
Preprint
2022
Elastic stripes formation at electronic transitions
Giuliano Chiriacò | Andrew J. Millis
Preprint
2022
Gauge-theoretic origin of Rydberg quantum spin liquids
P. S. Tarabunga | F. M. Surace | R. Andreoni | A. Angelone | M. Dalmonte
Preprint
2022
Entanglement Hamiltonians: from field theory, to lattice models and experiments
M. Dalmonte | V. Eisler | M. Falconi | B. Vermersch
Preprint
2022
Critical light-matter entanglement at cavity mediated phase transition
Giuliano Chiriacò | Marcello Dalmonte | Titas Chanda
Preprint
2022
Phase diagram of Rydberg-dressed atoms on two-leg triangular ladders
Pierre Fromholz | Mikheil Tsitsishvili | Matteo Votto | Marcello Dalmonte | Alexander Nersesyan | Titas Chanda
Preprint
2022
The Negativity Hamiltonian: An operator characterization of mixed-state entanglement
Sara Murciano | Vittorio Vitale | Marcello Dalmonte | Pasquale Calabrese

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