Roberto Car

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 17

Top Topics

Molecular Dynamics

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

Faraday discussions

This page only lists publications with an associated author ORCID identifier.

Publications

Ruiqi Gao, Yifan Li, Roberto Car
Enhanced deep potential model for fast and accurate molecular dynamics: application to the hydrated electron. Physical chemistry chemical physics : PCCP (2024)
Pinchen Xie, Roberto Car, Weinan E
Ab initio generalized Langevin equation. Proceedings of the National Academy of Sciences of the United States of America 121 (14) (2024)
Pinchen Xie, Roberto Car, Weinan E
Ab initio generalized Langevin equation. Proceedings of the National Academy of Sciences of the United States of America 121 (14) (2024)
Pinchen Xie, Roberto Car, Weinan E
Ab initio generalized Langevin equation. Proceedings of the National Academy of Sciences of the United States of America 121 (14) (2024)
Maria Carolina Muniz, Roberto Car, Athanassios Z Panagiotopoulos
Neural Network Water Model Based on the MB-Pol Many-Body Potential. The journal of physical chemistry. B (2023)
Cunzhi Zhang, Marcello Puligheddu, Linfeng Zhang, Roberto Car, Giulia Galli
Thermal Conductivity of Water at Extreme Conditions. The journal of physical chemistry. B (2023)
Pablo M Piaggi, Annabella Selloni, Athanassios Z Panagiotopoulos, Roberto Car, Pablo G Debenedetti
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar. Faraday discussions (2023)
Yixiao Chen, Linfeng Zhang, Weinan E, Roberto Car
Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems. Journal of chemical theory and computation (2023)
Reha Mathur, Maria Carolina Muniz, Shuwen Yue, Roberto Car, Athanassios Z Panagiotopoulos
First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO 2 . The journal of physical chemistry. B (2023)
Marcos F Calegari Andrade, Roberto Car, Annabella Selloni
Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics. Proceedings of the National Academy of Sciences of the United States of America 120 (46) (2023)
Maud Formanek, Salvatore Torquato, Roberto Car, Fausto Martelli
Molecular Rotations, Multiscale Order, Hyperuniformity, and Signatures of Metastability during the Compression/Decompression Cycles of Amorphous Ices. The journal of physical chemistry. B (2023)
Pablo M Piaggi, Jack Weis, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, Roberto Car
Homogeneous ice nucleation in an ab initio machine-learning model of water. Proceedings of the National Academy of Sciences of the United States of America 119 (33) (2022)
Fujie Tang, Zhenglu Li, Chunyi Zhang, Steven G Louie, Roberto Car, Diana Y Qiu, Xifan Wu
Many-body effects in the X-ray absorption spectra of liquid water. Proceedings of the National Academy of Sciences of the United States of America 119 (20) (2022)
Shuwen Yue, Maria Carolina Muniz, Marcos F Calegari Andrade, Linfeng Zhang, Roberto Car, Athanassios Z Panagiotopoulos
When do short-range atomistic machine-learning models fall short? The Journal of chemical physics 154 (3) (2021)
Thomas E Gartner Iii, Linfeng Zhang, Pablo M Piaggi, Roberto Car, Athanassios Z Panagiotopoulos, Pablo G Debenedetti
Signatures of a liquid-liquid transition in an ab initio deep neural network model for water. Proceedings of the National Academy of Sciences of the United States of America 117 (42) (2020)
Johannes Hoja, Hsin-Yu Ko, Marcus A Neumann, Roberto Car, Robert A DiStasio, Alexandre Tkatchenko
Reliable and practical computational description of molecular crystal polymorphs. Science advances 5 (1) (2019)
Mohan Chen, Lixin Zheng, Biswajit Santra, Hsin-Yu Ko, Robert A DiStasio, Michael L Klein, Roberto Car, Xifan Wu
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer. Nature chemistry 10 (4) (2018)