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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
Preprint
2012
Critical properties and R\'enyi entropies of the spin-3/2 XXZ chain
Marcello Dalmonte | Elisa Ercolessi | Luca Taddia
Preprint
2012
Dimer, trimer and FFLO liquids in mass- and spin-imbalanced trapped binary mixtures in one dimension
M. Dalmonte | K. Dieckmann | T. Roscilde | C. Hartl | A. E. Feiguin | U. Schollwöck | F. Heidrich-Meisner
Preprint
2012
Atomic Quantum Simulation of U(N) and SU(N) Non-Abelian Lattice Gauge Theories
D. Banerjee | M. Bögli | M. Dalmonte | E. Rico | P. Stebler | U. -J. Wiese | P. Zoller
Preprint
2012
Magnetic properties of commensurate Bose-Bose mixtures in one-dimensional optical lattices
The European Physical Journal Special Topics (2012)
M. Dalmonte | E. Ercolessi | M. Mattioli | F. Ortolani | D. Vodola
Journal article
2012
An Exact Solution for Spin and Charge Correlations in Quantum Dots: The Effect of Level Fluctuations and Zeeman Splitting
ArXiv (2012)
S. Burmistrov, I. | Gefen, Yuval | N. Kiselev, M.
Journal article
2012
Exact solution for spin and charge correlations in quantum dots: Effect of level fluctuations and Zeeman splitting
Physical Review B (2012)
Burmistrov, I. S. | Gefen, Yuval | Kiselev, M. N.
Journal article
2012
Kondo Force in Shuttling Devices: Dynamical Probe for a Kondo Cloud
ArXiv (2012)
N. Kiselev, M. | A. Kikoin, K. | Y. Gorelik, L. | I. Shekhter, R.
Journal article
2012
The fuzzy quantum proton in the hydrogen chloride hydrates.
Journal of the American Chemical Society (2012)
Hassanali AA | Cuny J | Ceriotti M | Pickard CJ | Parrinello M
Journal article
2012
Ultrafast dynamics of nonequilibrium electron transfer in photoinduced redox cycle: solvent mediation and conformation flexibility.
The journal of physical chemistry. B (2012)
Kao YT | Guo X | Yang Y | Liu Z | Hassanali A | Song QH | Wang L | Zhong D
Journal article
2012
A simple, exact density-functional-theory embedding scheme
Journal of Chemical Theory and Computation (2012)
Manby, F.R. | Stella, M. | Goodpaster, J.D. | Miller, T.F.
Journal article
2012
Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems
Physical Review B - Condensed Matter and Materials Physics (2012)
Rocca, D. | Ping, Y. | Gebauer, R. | Galli, G.
Journal article
2012
Erratum: Functional K-doping of eumelanin thin films: Density functional theory and soft x-ray spectroscopy experiments in the frame of the macrocyclic protomolecule model (The Journal of Chemical Physics (2012) 136 204703))
Journal of Chemical Physics (2012)
Borghetti, P. | Ghosh, P. | Castellarin-Cudia, C. | Goldoni, A. | Floreano, L. | Cossaro, A. | Verdini, A. | Gebauer, R. | Drera, G. | Sangaletti, L.
Journal article
2012
Functional K-doping of eumelanin thin films: Density functional theory theory and soft x-ray spectroscopy experiments in the frame of the macrocyclic protomolecule model
Journal of Chemical Physics (2012)
Borghetti, P. | Ghosh, P. | Castellarin-Cudia, C. | Goldoni, A. | Floreano, L. | Cossaro, A. | Verdini, A. | Gebauer, R. | Drera, G. | Sangaletti, L.
Journal article
2012
Optical properties of an organic dye from time-dependent density functional theory with explicit solvent: The case of alizarin
Journal of Chemical Physics (2012)
Douma, D.H. | M'Passi-Mabiala, B. | Gebauer, R.
Journal article
2012
Random perfect lattices and the sphere packing problem
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics (2012)
Andreanov, A. | Scardicchio, A.
Journal article
2012
Statistical distribution of the local purity in a large quantum system
Journal of Physics A: Mathematical and Theoretical (2012)
De Pasquale, A. | Facchi, P. | Giovannetti, V. | Parisi, G. | Pascazio, S. | Scardicchio, A.
Book
2012
Statistical mechanics of classical and quantum computational complexity
Lecture Notes in Physics (2012)
Laumann, C.R. | Moessner, R. | Scardicchio, A. | Sondhi, S.L.
Journal article
2012
Quantum adiabatic algorithm and scaling of gaps at first-order quantum phase transitions
Physical Review Letters (2012)
Laumann, C.R. | Moessner, R. | Scardicchio, A. | Sondhi, S.L.
Journal article
2012
A Molecular Dynamics Study of the Role of Adatoms in SAMs of Methylthiolate on Au(111): A New Force Field Parameterized from Ab Initio Calculations
The Journal of Physical Chemistry C (2012)
Scandolo, Sandro | Bhattacharya, Somesh Kr. | Longo, Gabriel S.
Journal article
2012
Ab initio parameterization of an all-atom polarizable and dissociable force field for water
The Journal of Chemical Physics (2012)
Scandolo, Sandro | Seriani, Nicola | Irani, Amir H. | Pinilla, Carlos
Journal article
2012
High-pressure phases of crystalline tellurium: A combined Raman and ab initio study
Physical Review B-solid State (2012)
Postorino, P. | Scandolo, S. | Degiorgi, L. | Petrillo, C. | Di Castro, D. | Lavagnini, M. | Chermisi, D. | Marini, C.
Journal article
2012
Partially collapsed cristobalite structure in the non molecular phase V in CO2
Proceedings of the National Academy of Sciences (2012)
Scandolo, Sandro | Montoya, Javier A. | Levelut, Claire | Cambon, Olivier | Haines, Julien | Bini, Roberto | Gorelli, Federico A. | Santoro, Mario
Journal article
2012
Titania-Silica Interfaces
The Journal of Physical Chemistry C (2012)
Scandolo, S. | De Vita, A. | Cereda, S. | Pinilla, C. | Seriani, N.
Journal article
2012
Magnetic properties of La<inf>0.67</inf>Sr<inf>0.33</inf>MnO <inf>3</inf>/BiFeO<inf>3</inf>(001) heterojunctions: Chemically abrupt vs. atomic intermixed interface
EPL (2012)
Neumann, R.F. | Bahiana, M. | Binggeli, N.
Journal article
2012
Surface stress of Ni adlayers on W(110): The critical role of the surface atomic structure
Journal of Physics Condensed Matter (2012)
Stojić, N. | Binggeli, N.
Journal article
2012
When Casimir meets Kibble-Zurek
Physica Scripta (2012)
Vacanti, G. | Pugnetti, S. | Didier, N. | Paternostro, M. | Palma, G. M. | Fazio, R. | Vedral, V.
Journal article
2012
Photon Production from the Vacuum Close to the Superradiant Transition: Linking the Dynamical Casimir Effect to the Kibble-Zurek Mechanism
Physical Review Letters (2012)
Vacanti, G. | Pugnetti, S. | Didier, N. | Paternostro, M. | Palma, G. M. | Fazio, R. | Vedral, V.
Journal article
2012
Geometric-phase backaction in a mesoscopic qubit-oscillator system
Physical Review a (2012)
Vacanti, G. | Fazio, R. | Kim, M. S. | Palma, G. M. | Paternostro, M. | Vedral, V.
Journal article
2012
Proposal for a Datta-Das transistor in the quantum Hall regime
Physical Review B (2012)
Chirolli, Luca | Venturelli, Davide | Taddei, Fabio | Fazio, Rosario | Giovannetti, Vittorio
Journal article
2012
High-fidelity quantum driving
Nature Physics (2012)
Bason, Mark G. | Viteau, Matthieu | Malossi, Nicola | Huillery, Paul | Arimondo, Ennio | Ciampini, Donatella | Fazio, Rosario | Giovannetti, Vittorio | Mannella, Riccardo | Morsch, Oliver

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