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View the latest research published by CMSP scientists.

Preprint

2026

Universality of Magic in Local Quantum Field Theory

Valentin Benedetti | Atish Dabholkar | Marcello Dalmonte

Preprint

2026

Glassy Signatures in Water's Second Liquid

Florian Pabst | Ali Hassanali

Preprint

2026

Hydrogen-Bond Donor-Acceptor Imbalance in Low-Frequency Terahertz Water Spectra

Lilian Najm Alsayed | Florian Pabst | Giuseppe Cassone | Ali Hassanali | Fabio Novelli

Preprint

2026

Chiral Graviton Modes in Non-Abelian lattice Fractional Quantum Hall states

Zeno Bacciconi | Min Long | Hernan Xavier | Hongyu Lu | Marcello Dalmonte | Zi Yang Meng

Preprint

2026

Chiral Graviton Modes in Fermionic Fractional Chern Insulators

Min Long | Zeno Bacciconi | Hongyu Lu | Hernan B. Xavier | Zi Yang Meng | Marcello Dalmonte

Preprint

2026

Quantum nuclear and band-dispersion effects recover near-UV absorption in short-hydrogen-bonded organic crystals

Jonas Hänseroth | Max Großmann | Malte Grunert | Ali Hassanali | Erich Runge | Christian Dreßler | Muhammad Nawaz Qaisrani

Journal article

2026

Generalized stochastic spin-wave theory for open quantum spin systems

Physical Review B (2026)

Zejian Li | Anna Delmonte | Rosario Fazio

Preprint

2026

Investigating causality between principal components in protein dynamics

Debarshi Banerjee | Ali Hassanali | Alessandro Laio

Journal article

2026

Good Practices for Simulation Studies Published in The Journal of Physical Chemistry B

The Journal of Physical Chemistry B (2026)

Christophe Chipot | Jiali Gao | Benoît Roux | Ali A. Hassanali | Barbara Kirchner | Joan-Emma Shea

Journal article

2026

Entanglement Transition in Unitary System-Bath Dynamics

Physical Review Letters (2026)

Bo Xing | Giuliano Chiriacò | Paola Cappellaro | Rosario Fazio | Dario Poletti

Preprint

2026

Transferable machine learning of excited-state dynamics with extremal pooling

Cesare Malosso | Wei Bin How | Gonzalo Díaz Mirón | Ali Hassanali | Michele Ceriotti

Journal article

2026

Computational Sciences from Africa and the African Diaspora

The Journal of Physical Chemistry C (2026)

Ali A Hassanali

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All publications

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.

Journal article

2011

Far-infrared spectrum of ice Ih: A first-principles study

Physical Review B-solid State (2011)

Scandolo, S. | Profeta, G.

Journal article

2011

Intrinsic defects and krypton impurity atoms in hcp titanium: A first-principles study

Physical Review B (2011)

Britton, David. T. | Haerting, Margit | Nsengiyumva, Schadrack | Scandolo, Sandro | Mazzarello, Riccardo | Raji, Abdulrafiu T.

Journal article

2011

Mixtures of planetary ices at extreme conditions

Nature Communications (2011)

Scandolo, Sandro | Lee, Mal-Soon

Journal article

2011

Stress engineering at the nanometer scale: Two-component adlayer stripes

EPL (2011)

Menteş, T.O. | Stojić, N. | Locatelli, A. | Aballe, L. | Binggeli, N. | Niño, M.A. | Kiskinova, M. | Bauer, E.

Journal article

2011

Quantum size effects on chemisorption properties: CO on ultrathin Cu films from first principles

Physical Review B - Condensed Matter and Materials Physics (2011)

Mouketo, L. | Binggeli, N. | M'Passi-Mabiala, B.

Journal article

2011

Stiffness in 1D matrix product states with periodic boundary conditions

Journal of Statistical Mechanics-Theory and Experiment (2011)

Rossini, Davide | Giovannetti, Vittorio | Fazio, Rosario

Journal article

2011

Quantum quenches, thermalization, and many-body localization

Physical Review B (2011)

Canovi, Elena | Rossini, Davide | Fazio, Rosario | Santoro, Giuseppe E. | Silva, Alessandro

Journal article

2011

Generating topological order from a two-dimensional cluster state using a duality mapping

New Journal of Physics (2011)

Brown, Benjamin J. | Son, Wonmin | Kraus, Christina V. | Fazio, Rosario | Vedral, Vlatko

Journal article

2011

Controlled Coupling of Spin-Resolved Quantum Hall Edge States

Physical Review Letters (2011)

Karmakar, Biswajit | Venturelli, Davide | Chirolli, Luca | Taddei, Fabio | Giovannetti, Vittorio | Fazio, Rosario | Roddaro, Stefano | Biasiol, Giorgio | Sorba, Lucia | Pellegrini, Vittorio | Beltram, Fabio

Journal article

2011

Time-bin entanglement of quasiparticles in semiconductor devices

Physical Review B (2011)

Chirolli, Luca | Giovannetti, Vittorio | Fazio, Rosario | Scarani, Valerio

Journal article

2011

Spatially resolved analysis of edge-channel equilibration in quantum Hall circuits

Physical Review B (2011)

Paradiso, Nicola | Heun, Stefan | Roddaro, Stefano | Venturelli, Davide | Taddei, Fabio | Giovannetti, Vittorio | Fazio, Rosario | Biasiol, Giorgio | Sorba, Lucia | Beltram, Fabio

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