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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
2012
Putting mechanics into circuit quantum electrodynamics
Comptes Rendus Physique (2012)
Didier, N. | Fazio, R.
Journal article
2012
Local density of states in metal-topological superconductor hybrid systems
Physical Review B (2012)
Gibertini, Marco | Taddei, Fabio | Polini, Marco | Fazio, Rosario
Journal article
2012
Quantum vortex dynamics in Josephson arrays and optical lattices
Annalen der Physik (2012)
Fazio, R. | Schön, G.
Journal article
2012
Many-body localization and thermalization in the full probability distribution function of observables
New Journal of Physics (2012)
Canovi, Elena | Rossini, Davide | Fazio, Rosario | Santoro, Giuseppe E. | Silva, Alessandro
Journal article
2012
Short-Time Spin Dynamics in Strongly Correlated Few-Fermion Systems
Physical Review Letters (2012)
Peotta, Sebastiano | Rossini, Davide | Silvi, Pietro | Vignale, G. | Fazio, Rosario | Polini, Marco
Journal article
2012
Phase diagram of the extended Bose-Hubbard model
New Journal of Physics (2012)
Rossini, Davide | Fazio, Rosario
Journal article
2012
Classical to quantum in large-number limit
Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences (2012)
Modi, Kavan | Fazio, Rosario | Pascazio, Saverio | Vedral, Vlatko | Yuasa, Kazuya
Journal article
2011
Simulating dye-sensitized TiO2 heterointerfaces in explicit solvent: Absorption spectra, energy levels, and dye desorption
Journal of Physical Chemistry Letters (2011)
De Angelis, F. | Fantacci, S. | Gebauer, R.
Journal article
2011
Optical properties of dye sensitized tio2 nanowires from time-dependent density functional theory
Physica Status Solidi - Rapid Research Letters (2011)
Hartmann Douma, D. | Gebauer, R.
Preprint
2011
Pairing, crystallization and string correlations of mass-imbalanced atomic mixtures in one-dimensional optical lattices
EPL (Europhysics Letters) (2011)
Tommaso Roscilde | Cristian Degli Esposti Boschi | Marcello Dalmonte
Preprint
2011
Trimer liquids and crystals of polar molecules in coupled wires
Physical review letters (2011)
M. Dalmonte | P. Zoller | G. Pupillo
Preprint
2011
Estimating Quasi-long-range Order via Renyi Entropies
Physical Review B (2011)
M. Dalmonte | E. Ercolessi | L. Taddia
Journal article
2011
Interplay of charge and spin in quantum dots: The Ising case
Physical Review B (2011)
Gefen, Yuval | Kiselev, M. N. | Lerner, Igor V. | Nissan-Cohen, Boaz
Journal article
2011
Phase Diagram of the Commensurate Two-Dimensional Disordered Bose-Hubbard Model
Physical Review Letters (2011)
Kiselev, M. | Prokof'ev, N. V. | Soeyler, S. G. | Svistunov, B. V.
Journal article
2011
Thermodynamic properties of the superconductivity in quasi-two-dimensional Dirac electronic systems
European Physical Journal B (2011)
Abah, O. | Kiselev, M. N.
Journal article
2011
On the recombination of hydronium and hydroxide ions in water.
Proceedings of the National Academy of Sciences of the United States of America (2011)
Hassanali A | Prakash MK | Eshet H | Parrinello M
Journal article
2011
An AIMD study of CPD repair mechanism in water: role of solvent in ring splitting.
The journal of physical chemistry. B (2011)
Hassanali AA | Zhong D | Singer SJ
Journal article
2011
An AIMD study of the CPD repair mechanism in water: reaction free energy surface and mechanistic implications.
The journal of physical chemistry. B (2011)
Hassanali AA | Zhong D | Singer SJ
Journal article
2011
The water-amorphous silica interface: analysis of the Stern layer and surface conduction.
The Journal of chemical physics (2011)
Zhang H | Hassanali AA | Shin YK | Knight C | Singer SJ
Journal article
2011
Sustainable energy: How quantum chemistry can help
Europhysics News (2011)
Gebauer, R.
Journal article
2011
TurboTDDFT - A code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Computer Physics Communications (2011)
Malcioǧlu, O.B. | Gebauer, R. | Rocca, D. | Baroni, S.
Journal article
2011
A combined molecular dynamics and computational spectroscopy study of a dye-sensitized solar cell
New Journal of Physics (2011)
Gebauer, R. | De Angelis, F.
Journal article
2011
Dielectric and thermal effects on the optical properties of natural dyes: A case study on solvated cyanin
Journal of the American Chemical Society (2011)
Malcioǧlu, O.B. | Calzolari, A. | Gebauer, R. | Varsano, D. | Baroni, S.
Journal article
2011
Optical properties of dye sensitized tio<inf>2</inf> nanowires from time-dependent density functional theory
Physica Status Solidi - Rapid Research Letters (2011)
Hartmann Douma, D. | Gebauer, R.
Journal article
2011
Simulating dye-sensitized TiO<inf>2</inf> heterointerfaces in explicit solvent: Absorption spectra, energy levels, and dye desorption
Journal of Physical Chemistry Letters (2011)
De Angelis, F. | Fantacci, S. | Gebauer, R.
Journal article
2011
How many eigenvalues of a Gaussian random matrix are positive?
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics (2011)
Majumdar, S.N. | Nadal, C. | Scardicchio, A. | Vivo, P.
Journal article
2011
Structure of typical states of a disordered Richardson model and many-body localization
Physical Review B - Condensed Matter and Materials Physics (2011)
Buccheri, F. | De Luca, A. | Scardicchio, A.
Journal article
2011
Structural properties and phase transitions in a silica clathrate
The Journal of Chemical Physics (2011)
Scandolo, Sandro | Christie, Jamieson K. | Miranda, Caetano R. | Ogundare, Folorunso O. | Liang, Yunfeng
Journal article
2011
Defects in ion-implanted hcp-titanium: A first-principles study of electronic structures
Solid State Communications (2011)
Britton, David T. | Haerting, Margit | Nsengiyumva, Schadrack | Scandolo, Sandro | Mazzarello, Riccardo | Raji, Abdulrafiu T.
Journal article
2011
Dislocation properties of coesite from an ab-initio parametrized interatomic potential
Physical Review B-solid State (2011)
Cordier, P. | Scandolo, S. | Carrez, P. | Giacomazzi, L.

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