Stefano Baroni

Scuola Internazionale Superiore di Studi Avanzati — Italy

Physics and Astronomy · Physical Sciences

69h-index58.9kcitations378works2.62yr avg
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Research Topics

Advanced Chemical Physics Studies(96), High-pressure geophysics and materials(48), Semiconductor Quantum Structures and Devices(39), Spectroscopy and Quantum Chemical Studies(38), Quantum, superfluid, helium dynamics(34)

Publications378 total

The nuts and bolts of gauge invariance of heat transport
The Journal of Chemical Physics·2026Open Access
Heat transport in superionic materials via machine-learned molecular dynamics
arXiv (Cornell University)·2025Open Access
Dynamical heterogeneity in supercooled water and its spectroscopic fingerprints
The Journal of Chemical Physics·2025· 1 citedOpen Access
Thermal Transport in a 2D Amorphous Material
Physical Review X·2025· 2 citedOpen Access
The nuts and bolts of gauge invariance of heat transport
arXiv (Cornell University)·2025Open Access
How Salt Solvation Slows Water Dynamics While Blue-Shifting Its Dielectric Spectrum
The Journal of Physical Chemistry Letters·2025· 3 citedOpen Access
<scp>MaX</scp> - Materials design at the exascale - a EuroHPC Centre of Excellence: Recent selected results
2025
How Salt Solvation Slows Water Dynamics While Blue-Shifting Its Dielectric Spectrum
arXiv (Cornell University)·2025Open Access
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
Physical review. B./Physical review. B·2025· 6 citedOpen Access
Glassy dynamics in a glass-forming liquid: A first-principles study of toluene
Physical review. E·2025· 5 cited
Transport coefficients from equilibrium molecular dynamics
The Journal of Chemical Physics·2025· 6 citedOpen Access
MaX - Materials design at the exascale - a EuroHPC Centre of Excellence: Recent selected results
JuSER Publikationsportal·2025Open Access
Birth and ephemeral life of pseudopotential alchemy
arXiv (Cornell University)·2024Open Access
Green and Kubo forge the arrow of time
Molecular Physics·2024· 1 citedOpen Access
Glassy Dynamics from First-Principles Simulations
arXiv (Cornell University)·2024Open Access
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
arXiv (Cornell University)·2024Open Access
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations
Proceedings of the National Academy of Sciences·2024· 10 citedOpen Access
Unearthing the foundational role of anharmonicity in heat transport in glasses
Physical review. B./Physical review. B·2024· 14 citedOpen Access
Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis
Journal of Chemical Theory and Computation·2024· 5 citedOpen Access
Growth and Redox Properties of Boron on Al(111): Competing Affinities in the Case of Honeycomb AlB<sub>2</sub>
ACS Nano·2024· 2 citedOpen Access
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Frequent Co-authors

Stefano de Gironcoli(19), Paolo Giannozzi(14), Stefano Fabris(9), Raffaele Resta(7), Ralph Gebauer(6), Roberto Car(5), Andrea Dal Corso(5), Renata M. Wentzcovitch(5), Guido Fratesi(4), Paolo Umari(4), Sandro Scandolo(3), P. Pavone(3), A. Baldereschi(3), Gianpaolo Vicario(3), Gabriele Balducci(3), Michele Parrinello(3), Bijaya B. Karki(3), Matteo Calandra(2), Carlo Cavazzoni(2), Davide Ceresoli(2)