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View the latest research published by CMSP scientists.

Journal article
2026
The Unique Polaron Behavior at Anatase TiO2 (101) Surfaces under Water Modification: A Constrained Density Functional Theory Study
The Journal of Physical Chemistry C (2026)
Ran Zhang | Rutong Si | Yun-Bo Li | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Preprint
2025
Topological magic response in quantum spin chains
Ritu Nehra | Poetri Sonya Tarabunga | Martina Frau | Mario Collura | Emanuele Tirrito | Marcello Dalmonte
Preprint
2025
Basis dependence of Neural Quantum States for the Transverse Field Ising Model
Ronald Santiago Cortes | Aravindh S. Shankar | Marcello Dalmonte | Roberto Verdel | Nils Niggemann
Preprint
2025
Interplay of entanglement structures and stabilizer entropy in spin models
Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito
Preprint
2025
Investigating the Role of pH and Counterions in the Intrinsic Fluorescence of Solid-State L-Lysine
The Journal of Physical Chemistry B (2025)
Marta Monti | Luca Cimmino | Gonzalo Díaz Mirón | Carlo Diaferia | Debarshi Banerjee | Martina Stella | Luigi Vitagliano | Antonella Accardo | Ali Hassanali
Preprint
2025
Superdiffusion and anomalous fluctuations in chiral integrable dynamics
Cristiano Muzzi | Devendra Singh Bhakuni | Marcello Dalmonte | Lenart Zadnik | Hernan B. Xavier
Preprint
2025
Network theory classification of quantum matter based on wave function snapshots
Riccardo Andreoni | Vittorio Vitale | Cristiano Muzzi | Guido Caldarelli | Roberto Verdel | Marcello Dalmonte
Journal article
2025
Chiral Graviton Modes on the Lattice
Physical Review Letters (2025)
Hernan B. Xavier | Zeno Bacciconi | Titas Chanda | Dam Thanh Son | Marcello Dalmonte
Journal article
2025
Robustness of nonstabilizerness in the quantum Ising chain via quantum Monte Carlo tomography
Physical Review B (2025)
Hari Timsina | Yi-Ming Ding | Emanuele Tirrito | Poetri Sonya Tarabunga | Bin-Bin Mao | Mario Collura | Zheng Yan | Marcello Dalmonte
Journal article
2025
Heat-to-motion conversion for quantum active matter
Physical Review B (2025)
Alexander-Georg Penner | Ludmila Viotti | Rosario Fazio | Liliana Arrachea | Felix von Oppen
Journal article
2025
Silver Copper Oxide: A p-Type Transparent Conductive Oxide?
ACS Applied Energy Materials (2025)
Abhishek Rawat | Juan Carlos Expósito Gálvez | Mohammad Arham Shamim | Abhishek K. Adak | Chuzhong Zhang | Clement U. Nwokeji | Riddhi Ananth | Anushka Dasgupta | Enrique Ramirez | Sumit Kewalramani | Péter S. Tóth ...
Preprint
2025
Defects at Play: Shaping the Photophysics and Photochemistry of Ice
Marta Monti | Yu Jin | Gonzalo Díaz Mirón | Arpan Kundu | Marco Govoni | Giulia Galli | Ali Hassanali

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All publications
Journal article
2021
Overcoming the asymmetry of the electron and hole doping for magnetic transitions in bilayer CrI3
Nanoscale (2021)
Sukanya Ghosh | Nataša Stojić | Nadia Binggeli
Journal article
2021
Thermal rectification through a nonlinear quantum resonator
Physical Review B (2021)
Bibek Bhandari | Paolo Andrea Erdman | Rosario Fazio | Elisabetta Paladino | Fabio Taddei
Journal article
2021
Optimizing autonomous thermal machines powered by energetic coherence
New Journal of Physics (2021)
Kenza Hammam | Yassine Hassouni | Rosario Fazio | Gonzalo Manzano
Journal article
2020
Heterostructures of ϵ-Fe2O3and α-Fe2O3: Insights from density functional theory
RSC Advances (2020)
Ahamed, I. | Seriani, N. | Gebauer, R. | Kashyap, A.
Journal article
2020
Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction?
Applied Surface Science (2020)
German, E. | Gebauer, R.
Journal article
2020
DFT insights into electrocatalytic CO2 reduction to methanol on α-Fe2O3(0001) surfaces
Physical Chemistry Chemical Physics (2020)
Kumar, N. | Seriani, N. | Gebauer, R.
Journal article
2020
Measurement-induced criticality in
(2+1)
-dimensional hybrid quantum circuits
Physical Review B (2020)
Marcello Dalmonte
Journal article
2020
Fluorescence Quantum Yields in Complex Environments from QM-MM TDDFT Simulations: The Case of Indole in Different Solvents
The Journal of Physical Chemistry A (2020)
Gonzalo Díaz Mirón | Mariano C. González Lebrero
Preprint
2020
Variational classical networks for dynamics in interacting quantum matter
Roberto Verdel | Markus Schmitt | Yi-Ping Huang | Petr Karpov | Markus Heyl
Journal article
2020
Selective capture of CO2 over N2 and CH4: B clusters and their size effects
Materials Today Communications (2020)
Alexandra B. Santos-Putungan | Nataša Stojić | Nadia Binggeli | Francis N.C. Paraan
Journal article
2020
Quantum thermoelectric and heat transport in the overscreened Kondo regime: Exact conformal field theory results
ArXiv (2020)
B. Karki, D. | N. Kiselev, Mikhail
Journal article
2020
Thermoelectric Transport in a Three-Channel Charge Kondo Circuit
ArXiv (2020)
K. T. Nguyen, T. | N. Kiselev, M.
Journal article
2020
Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X‐Ray Absorption Spectroscopy
Angewandte Chemie International Edition (2020)
Uriel N. Morzan | Pablo E. Videla | Micheline B. Soley | Erik T. J. Nibbering | Victor S. Batista
Journal article
2020
Quantum phase transitions in the spin-boson model: Monte Carlo method versus variational approach à la Feynman
Physical Review B (2020)
De Filippis, G. | De Candia, A. | Cangemi, L.M. | Sassetti, M. | Fazio, R. | Cataudella, V.
Journal article
2020
Superfluid-to-Mott transition in a Bose-Hubbard ring: Persistent currents and defect formation
Physical Review A (2020)
Kohn, L. | Silvi, P. | Gerster, M. | Keck, M. | Fazio, R. | Santoro, G.E. | Montangero, S.
Journal article
2020
Erratum: Measurement-induced criticality in (2+1)-dimensional hybrid quantum circuits (Physical Review B (2020) 102 (014315) DOI: 10.1103/PhysRevB.102.014315)
Physical Review B (2020)
Turkeshi, X. | Fazio, R. | Dalmonte, M.
Journal article
2020
Measurement-induced criticality in (2+1) -dimensional hybrid quantum circuits
Physical Review B (2020)
Turkeshi, X. | Fazio, R. | Dalmonte, M.
Journal article
2020
Nonergodic behavior of the clean Bose-Hubbard chain
Physical Review B (2020)
Russomanno, A. | Fava, M. | Fazio, R.
Journal article
2020
Phase-Preserving Linear Amplifiers Not Simulable by the Parametric Amplifier
Physical Review Letters (2020)
Chia, A. | Hajdušek, M. | Nair, R. | Fazio, R. | Kwek, L.C. | Vedral, V.
Journal article
2020
Squeezing Oil into Water under Pressure: Inverting the Hydrophobic Effect.
The journal of physical chemistry letters (2020)
Pruteanu CG | Naden Robinson V | Ansari N | Hassanali A | Scandolo S | Loveday JS
Journal article
2020
Insights into the Emerging Networks of Voids in Simulated Supercooled Water.
The journal of physical chemistry. B (2020)
Ansari N | Onat B | Sosso GC | Hassanali A
Journal article
2020
Understanding Förster Energy Transfer through the Lens of Molecular Dynamics.
Journal of chemical theory and computation (2020)
Anzola M | Sissa C | Painelli A | Hassanali AA | Grisanti L
Journal article
2020
Charge transfer as a ubiquitous mechanism in determining the negative charge at hydrophobic interfaces.
Nature communications (2020)
Poli E | Jong KH | Hassanali A
Journal article
2020
First-passage fingerprints of water diffusion near glutamine surfaces.
Soft matter (2020)
Belousov R | Qaisrani MN | Hassanali A | Roldán É
Journal article
2020
Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study.
Journal of the American Chemical Society (2020)
Grisanti L | Sapunar M | Hassanali A | Došlić N
Journal article
2020
Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges.
The journal of physical chemistry. B (2020)
Cuny J | Cerda Calatayud J | Ansari N | Hassanali AA | Rapacioli M | Simon A
Journal article
2020
Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
The Journal of Chemical Physics (2020)
Laura E. Ratcliff | William Dawson | Giuseppe Fisicaro | Damien Caliste | Stephan Mohr | Augustin Degomme | Brice Videau | Viviana Cristiglio | Martina Stella | Marco D’Alessandro | Stefan Goedecker | Takahito Nakajima ...
Journal article
2020
Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory
Journal of Physical Chemistry Letters (2020)
Pi, J.M. | Stella, M. | Fernando, N.K. | Lam, A.Y. | Regoutz, A. | Ratcliff, L.E.
Journal article
2020
Fast molecular compression by a hyperthermal collision gives bond-selective mechanochemistry
Physycal Review Letters (2020)
Martina Stella
Journal article
2020
Why are MoS<inf>2</inf> monolayers not a good catalyst for the oxygen evolution reaction?
Applied Surface Science (2020)
German, E. | Gebauer, R.

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