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View the latest research published by CMSP scientists.

Journal article

2026

Water-mediated reconfigurable topology and mechanics in porous peptide materials

Matter (2026)

Vignesh Athiyarath | Elma Naranjo | Dhwanit Dave | Osman Goni Ridwan | Danilo A. Arturo Rodriguez | Qiang Zhu | Marta Monti | Gonzalo Díaz Mirón | Debarshi Banerjee | Ali Hassanali | Michelle C. Neary | Eric G. Keeler ...

Journal article

2026

Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water

Nature Communications (2026)

Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Dasgupta | Christopher J. Mundy | Ali Hassanali

Journal article

2026

Quantum thermodynamic uncertainty relation and macroscopic superconducting coherence

Physical Review Research (2026)

Franco Mayo | Nahual Sobrino | Rosario Fazio | Fabio Taddei | Michele Governale

Preprint

2026

Metastable confinement in Rydberg lattice gauge theories

Yaohua Li | Devendra Singh Bhakuni | Yong-Chun Liu | Marcello Dalmonte

Journal article

2026

Noises in a two-channel charge Kondo model

Physical Review B (2026)

T. K. T. Nguyen | J. Rech | T. Martin | M. N. Kiselev

Journal article

2026

Universal Relations between Thermoelectrics and Noise in Mesoscopic Transport across a Tunnel Junction

Physical Review Letters (2026)

Andrei I. Pavlov | Mikhail N. Kiselev

Journal article

2026

A physics-informed long-range polarizable potential based on deep learning

The Journal of Chemical Physics (2026)

Z. Li | S. Scandolo

Journal article

2026

Polarization-Dominated Exciton Behavior of the MoSSe/GaN Heterostructure under Strain: A First-Principles Study

The Journal of Physical Chemistry C (2026)

Yiping Zhang | Jifeng Luo | Rutong Si | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer

Preprint

2026

Chiral Graviton Modes in Fermionic Fractional Chern Insulators

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

Journal article

2026

The Unique Polaron Behavior at Anatase TiO2 (101) Surfaces under Water Modification: A Constrained Density Functional Theory Study

The Journal of Physical Chemistry C (2026)

Ran Zhang | Rutong Si | Yun-Bo Li | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer

Journal article

2025

Theory of Robust Quantum Many-Body Scars in Long-Range Interacting Systems

Rosario Fazio

Preprint

2025

Basis dependence of Neural Quantum States for the Transverse Field Ising Model

Ronald Santiago Cortes | Aravindh S. Shankar | Marcello Dalmonte | Roberto Verdel | Nils Niggemann

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All publications

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

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.

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.

Preprint

2011

Estimating Quasi-long-range Order via Renyi Entropies

Physical Review B (2011)

M. Dalmonte | E. Ercolessi | L. Taddia

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

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

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

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

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

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

Mixtures of planetary ices at extreme conditions

Nature Communications (2011)

Scandolo, Sandro | Lee, Mal-Soon

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

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

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.

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