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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
2022
Negativity Hamiltonian: An Operator Characterization of Mixed-State Entanglement
Physical Review Letters (2022)
Marcello Dalmonte
Journal article
2022
Phase diagram of Rydberg-dressed atoms on two-leg triangular ladders
Physical Review B (2022)
Pierre Fromholz | Mikheil Tsitsishvili | Matteo Votto | Marcello Dalmonte | Alexander Nersesyan | Titas Chanda
Journal article
2022
Observation of Strong Synergy in the Interfacial Water Response of Binary Ionic and Nonionic Surfactant Mixtures
The Journal of Physical Chemistry Letters (2022)
Sanghamitra Sengupta | Rahul Gera | Colin Egan | Uriel N. Morzan | Jan Versluis | Ali Hassanali | Huib J. Bakker
Journal article
2022
High-Dimensional Fluctuations in Liquid Water: Combining Chemical Intuition with Unsupervised Learning
Journal of Chemical Theory and Computation (2022)
Adu Offei-Danso | Ali Hassanali | Alex Rodriguez
Journal article
2022
Learning the Hydrophobic, Hydrophilic, and Aromatic Character of Amino Acids from Thermal Relaxation and Interfacial Thermal Conductance
The Journal of Physical Chemistry B (2022)
Edgar Roldan
Journal article
2022
Model Folded Hydrophobic Polymers Reside in Highly Branched Voids
The Journal of Physical Chemistry Letters (2022)
Khatereh Azizi | Alessandro Laio | Ali Hassanali
Journal article
2022
Non-Aromatic Fluorescence in Biological Matter: The Exception or the Rule?
The Journal of Physical Chemistry B (2022)
Uriel Nicolas Morzan | Gonzalo Díaz Mirón | Luca Grisanti | Mariano González Lebrero | Kaminski Schierle | Ali Hassanali
Journal article
2022
Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water
The Journal of Physical Chemistry Letters (2022)
Tereza Schönfeldová | Nathan Dupertuis | Yixing Chen | Narjes Ansari | Emiliano Poli | David M. Wilkins | Ali Hassanali | Sylvie Roke
Journal article
2022
Intracellular Aβ42 Aggregation Leads to Cellular Thermogenesis
Journal of the American Chemical Society (2022)
Chyi Wei Chung | Amberley D. Stephens | Tasuku Konno | Edward Ward | Edward Avezov | Clemens F. Kaminski | Ali A. Hassanali | Gabriele S. Kaminski Schierle
Journal article
2022
The behavior of methane–water mixtures under elevated pressures from simulations using many-body potentials
The Journal of Chemical Physics (2022)
Victor Naden Robinson | Raja Ghosh | Colin K. Egan | Marc Riera | Christopher Knight | Francesco Paesani | Ali Hassanali
Journal article
2022
Deep-learning density functionals for gradient descent optimization
Physical Review E (2022)
EMANUELE COSTA | Giuseppe Scriva | rosario fazio | Sebastiano PILATI
Journal article
2022
How to determine solubility in binary mixtures from neutron scattering data: The case of methane and water
The Journal of Chemical Physics (2022)
Ciprian G. Pruteanu | Victor Naden Robinson | Ali Hassanali | Sandro Scandolo | John S. Loveday | Graeme J. Ackland
Journal article
2022
Nonlinear dynamics of the dissipative anisotropic two-photon Dicke model
New Journal of Physics (2022)
Jiahui Li | Rosario Fazio | Stefano Chesi
Journal article
2022
Hybrid ferromagnetic transmon qubit: Circuit design, feasibility, and detection protocols for magnetic fluctuations
Physical Review B (2022)
Halima Giovanna Ahmad | Valentina Brosco | Alessandro Miano | Luigi Di Palma | Marco Arzeo | Domenico Montemurro | Procolo Lucignano | Giovanni Piero Pepe | Francesco Tafuri | Rosario Fazio | Davide Massarotti
Preprint
2021
Exploring yttrium doped C$_{24}$ fullerene as a high-capacity reversible hydrogen storage material: DFT investigations
Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Preprint
2021
Scandium decorated C$_{24}$ fullerene as high capacity reversible hydrogen storage material: Insights from density functional theory simulations
Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Journal article
2021
Ab-initio, Monte Carlo and experimental investigation on structural, electronic and magnetic properties of Zn1-xNixO 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.
Journal article
2021
Sol-gel prepared Cu2ZnSnS4 (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.
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.

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