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Roberto Car — most-cited papers & profile · AI for Science
← authors
·
overview
Roberto Car
15
papers ·
794
citations ·
110
h-index
Princeton University
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
DeePMD-kit v2: A software package for Deep Potential models
2023 · 479 citations
End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems
2018 · 156 citations
Liquid-liquid transition in water from first principles
2022 · 90 citations
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning
2020 · 36 citations
Enhanced Deep Potential Model for Fast and Accurate Molecular Dynamics; Application to the Hydrated Electron
2024 · 16 citations
Melting curves of ice polymorphs in the vicinity of the liquid-liquid critical point
2023 · 6 citations
Ab Initio Generalized Langevin Equation
2022 · 4 citations
Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics
2017 · 2 citations
Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations
2024 · 2 citations
Benchmarking Universal Machine Learning Interatomic Potentials for Supported Nanoparticles: Decoupling Energy Accuracy from Structural Exploration
2025 · 1 citations
Ab Initio Melting Properties of Water and Ice from Machine Learning Potentials
2025 · 1 citations
Assessment of First-Principles Methods in Modeling the Melting Properties of Water
2025 · 1 citations
fix pimd/langevin: An Efficient Implementation of Path Integral Molecular Dynamics in LAMMPS
2026
A Machine Learning Model for the Chemistry of a Solvated Electron
2025
Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate
2024
Top co-authors
Pinchen Xie
· 5
Linfeng Zhang
· 4
Pablo M. Piaggi
· 4
Weinan E
· 4
Han Wang
· 3
Jiequn Han
· 3
and Weinan E
· 2
Axel Gomez
· 2
Bingjia Yang
· 2
Chunyi Zhang
· 2
Denghui Lu
· 2
Jiayan Xu
· 2
Topics
Materials
Chemistry
Physics ML