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View the latest research published by CMSP scientists.

Journal article
2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations
The Journal of Physical Chemistry A (2025)
B. Hourahine | M. Berdakin | J. A. Bich | F. P. Bonafé | C. Camacho | Q. Cui | M. Y. Deshaye | G. Díaz Mirón | S. Ehlert | M. Elstner | T. Frauenheim | N. Goldman | R. A. González León | T. van der Heide | S. Irle ...
Journal article
2025
Crystallization of L‐Cysteine in Heavy Water Induces Intrinsic Fluorescence
Angewandte Chemie (2025)
Debarshi Banerjee | Sonika Chibh | Om Shanker Tiwari | Gonzalo Díaz Mirón | Marta Monti | Hadar R. Yakir | Shweta Pawar | Dror Fixler | Linda J. W. Shimon | Ehud Gazit | Ali Hassanali
Preprint
2025
Acid Base Chemistry of Short Hydrogen Bonds: A Tale of Schr\'odinger's Cat in Glutamine-Derived Crystals
Muhammad Nawaz Qaisrani | Nandha Kumar | Christian Dreßler | Ralph Gebauer | Ali Hassanali
Preprint
2025
Interplay of entanglement structures and stabilizer entropy in spin models
Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito
Journal article
2025
Monitored long-range interacting systems: spin-wave theory for quantum trajectories
Nature Communications (2025)
Zejian Li | Anna Delmonte | Xhek Turkeshi | Rosario Fazio
Journal article
2025
Computational Simulations and Strategies for Optimal Hydrogen Storage Materials Design
PRX Energy (2025)
Vikram Mahamiya | Alok Shukla | Abhishek Kumar Adak | Hoonkyung Lee | Nicola Seriani | Ralph Gebauer
Preprint
2025
Chiral Gravitons on the Lattice
Hernan B. Xavier | Zeno Bacciconi | Titas Chanda | Dam Thanh Son | Marcello Dalmonte
Preprint
2025
Family-Vicsek universality of the binary intrinsic dimension of nonequilibrium data
Roberto Verdel | Devendra Singh Bhakuni | Santiago Acevedo
Journal article
2025
Data-Driven Discovery of the Origins of UV Absorption in the Alpha-3C Protein
The Journal of Physical Chemistry B (2025)
Germaine Neza Hozana | Gonzalo Díaz Mirón | Ali Hassanali
Preprint
2025
Local vs non-local dynamics in cavity-coupled Rydberg atom arrays
Zeno Bacciconi | Hernan B. Xavier | Matteo Marinelli | Devendra Singh Bhakuni | Marcello Dalmonte
Journal article
2025
Measurement-induced phase transitions in monitored infinite-range interacting systems
Physical Review Research (2025)
Anna Delmonte | Zejian Li | Gianluca Passarelli | Eric Yilun Song | Diego Barberena | Ana Maria Rey | Rosario Fazio
Journal article
2025
Breaking of Lorentz invariance caused by the interplay between spin-orbit interaction and transverse phonon modes in quantum wires
Physical Review Research (2025)
D. V. Efremov | Weyner Ccuiro | Luis E. F. Foa Torres | M. N. Kiselev

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All publications
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 Stephens | Muhammad Nawaz Qaisrani | Michael Ruggiero | Gonzalo Díaz Mirón | Uriel N. Morzan | Mariano C. González Lebrero | Saul T. E. Jones | Emiliano Poli | Andrew D. Bond | Philippa J. Woodhams | Elyse Kleist ...
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
Preprint
2021
Entanglement Transitions from Stochastic Resetting of Non-Hermitian Quasiparticles
Xhek Turkeshi | Marcello Dalmonte | Rosario Fazio | Marco Schirò
Preprint
2021
Measurement-induced criticality in extended and long-range unitary circuits
Shraddha Sharma | Xhek Turkeshi | Rosario Fazio | Marcello Dalmonte
Preprint
2021
Quantum local random networks and the statistical robustness of quantum scars
Federica Maria Surace | Marcello Dalmonte | Alessandro Silva
Journal article
2021
Signatures of many-body localization in the dynamics of two-level systems in glasses
Physical Review B (2021)
Antonello Scardicchio
Preprint
2021
Quantum Variational Learning of the Entanglement Hamiltonian
Christian Kokail | Bhuvanesh Sundar | Torsten V. Zache | Andreas Elben | Benoît Vermersch | Marcello Dalmonte | Rick van Bijnen | Peter Zoller
Preprint
2021
Symmetry-resolved dynamical purification in synthetic quantum matter
Vittorio Vitale | Andreas Elben | Richard Kueng | Antoine Neven | Jose Carrasco | Barbara Kraus | Peter Zoller | Pasquale Calabrese | Benoit Vermersch | Marcello Dalmonte
Preprint
2021
Measurement-Induced Entanglement Transitions in the Quantum Ising Chain: From Infinite to Zero Clicks
Xhek Turkeshi | Alberto Biella | Rosario Fazio | Marcello Dalmonte | Marco Schiro
Journal article
2021
Subdiffusion in a one-dimensional Anderson insulator with random dephasing: Finite-size scaling, Griffiths effects, and possible implications for many-body localization
Physical Review B (2021)
Scott R. Taylor | Antonello Scardicchio
Journal article
2021
Nano-imaging of strain-tuned stripe textures in a Mott crystal
npj Quantum Materials (2021)
Giuliano Chiriaco
Preprint
2021
Finite-temperature quantum discordant criticality
Poetri Sonya Tarabunga | Tiago Mendes-Santos | Fabrizio Illuminati | Marcello Dalmonte
Journal article
2021
Disorder-Free Localization in an Interacting 2D Lattice Gauge Theory
Physical Review Letters (2021)
Roberto Verdel Aranda
Preprint
2021
Symmetry-resolved entanglement detection using partial transpose moments
Antoine Neven | Jose Carrasco | Vittorio Vitale | Christian Kokail | Andreas Elben | Marcello Dalmonte | Pasquale Calabrese | Peter Zoller | Benoît Vermersch | Richard Kueng | Barbara Kraus

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