Roberto Car

Princeton University — United States

Physics and Astronomy · Physical Sciences

108h-index89.9kcitations587works4.92yr avg
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Research Topics

Advanced Chemical Physics Studies(124), Spectroscopy and Quantum Chemical Studies(115), Quantum, superfluid, helium dynamics(66), Molecular Junctions and Nanostructures(50), Machine Learning in Materials Science(47)

Publications587 total

fix pimd/langevin: An Efficient Implementation of Path Integral Molecular Dynamics in LAMMPS
ArXiv.org·2026Open Access
fix pimd/langevin: An Efficient Implementation of Path Integral Molecular Dynamics in LAMMPS
arXiv (Cornell University)·2026Open Access
Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces
Physical Review Letters·2026· 1 cited
Assessment of First-Principles Methods in Modeling the Melting Properties of Water
ArXiv.org·2025Open Access
Ab Initio Melting Properties of Water and Ice from Machine Learning Potentials
ArXiv.org·2025Open Access
Assessment of First-Principles Methods in Modeling the Melting Properties of Water
arXiv (Cornell University)·2025Open Access
Ab Initio Melting Properties of Water and Ice from Machine Learning Potentials
arXiv (Cornell University)·2025Open Access
Benchmarking Universal Machine Learning Interatomic Potentials for Supported Nanoparticles: Decoupling Energy Accuracy from Structural Exploration
arXiv (Cornell University)·2025· 1 citedOpen Access
A Machine Learning Model for the Chemistry of a Solvated Electron
arXiv (Cornell University)·2025Open Access
Infrared spectral signatures of interfacial water at TiO2–electrolyte interfaces from deep potential molecular dynamics
The Journal of Chemical Physics·2025
Tuning water dissociation at oxide–electrolyte interfaces with electric fields
Proceedings of the National Academy of Sciences·2025· 3 citedOpen Access
Dynamic Metal–Support Interaction Dictates Cu Nanoparticle Sintering on Al<sub>2</sub>O<sub>3</sub> Surfaces
ACS Nano·2025· 11 citedOpen Access
On the Possibility of Chiral Symmetry Breaking in Liquid Hydrogen Peroxide
The Journal of Physical Chemistry B·2025Open Access
Phase transitions and dimensional cross-over in layered confined solids
Proceedings of the National Academy of Sciences·2025· 2 citedOpen Access
Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces
arXiv (Cornell University)·2025Open Access
Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate
Physical review. B./Physical review. B·2025· 9 citedOpen Access
Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on Al$_2$O$_3$ Surfaces
arXiv (Cornell University)·2025· 1 citedOpen Access
Molecular-scale insights into the electrical double layer at oxide-electrolyte interfaces
Nature Communications·2024· 53 citedOpen Access
Deuteration removes quantum dipolar defects from KDP crystals
npj Computational Materials·2024· 5 citedOpen Access
Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate
arXiv (Cornell University)·2024Open Access
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Frequent Co-authors

Alfredo Pasquarello(9), Michele Parrinello(9), Stefano Baroni(4), Francesco Mauri(4), Robert K. Prud’homme(4), İlhan A. Aksay(4), Linfeng Zhang(4), Robert A. DiStasio(4), Kari Laasonen(4), Hsin-Yu Ko(4), Paolo Giannozzi(3), Andrea Dal Corso(3), Renata M. Wentzcovitch(3), Konstantin N. Kudin(3), Hannes C. Schniepp(3), Michael McAllister(3), Handong Wang(3), E Weinan(3), Changyol Lee(3), David Vanderbilt(3)