Roberto Car
Princeton University
H-index: 117
North America-United States
Top articles of Roberto Car
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Simulating the ferroelectric phase transition with machine learning models | Bulletin of the American Physical Society | Roberto Car | 2024/3/5 |
Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations | arXiv preprint arXiv:2404.00167 | Chunyi Zhang Marcos Calegari Andrade Zachary K Goldsmith Abhinav S Raman Yifan Li | 2024/3/29 |
Improved Deep Potential Model for Fast and Accurate Molecular Dynamics Simulations | Bulletin of the American Physical Society | Ruiqi Gao Roberto Car | 2024/3/5 |
Quantum effects in the H-bond symmetrization and in the thermodynamic properties of high pressure ice | arXiv preprint arXiv:2403.09238 | Marco Cherubini Lorenzo Monacelli Bingjia Yang Roberto Car Michele Casula | 2024/3/14 |
Deep Potential Molecular Dynamics Study of PMN Relaxor Ferroelectricity | Bulletin of the American Physical Society | Kehan Cai Pinchen Xie Roberto Car | 2024/3/4 |
Assessing the Accuracy of Various Exchange-Correlation Functionals in Capturing Nuclear Quantum Effects on the Melting Point of Ice Ih | Bulletin of the American Physical Society | Yifan Li Bingjia Yang Chunyi Zhang Roberto Car | 2024/3/8 |
Deuteration removes quantum dipolar defects from KDP crystals | arXiv preprint arXiv:2404.08125 | Bingjia Yang Pinchen Xie Roberto Car | 2024/4/11 |
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar | Faraday Discussions | Pablo M Piaggi Annabella Selloni Athanassios Z Panagiotopoulos Roberto Car Pablo G Debenedetti | 2024 |
A molecular-scale picture of the electrical double layer at TiO2-electrolyte interfaces | Bulletin of the American Physical Society | Chunyi Zhang Marcos Andrade Zachary Goldsmith Abhinav Raman Yifan Li | 2024/3/7 |
Enhanced Deep Potential Model for Fast and Accurate Molecular Dynamics; Application to the Hydrated Electron | arXiv preprint arXiv:2404.04370 | Ruiqi Gao Yifan Li Roberto Car | 2024/4/5 |
Modeling coarse-grained lattice dynamics with ab initio generalized Langevin equation | Bulletin of the American Physical Society | Pinchen Xie Roberto Car | 2024/3/6 |
Ab initio generalized Langevin equation | Proceedings of the National Academy of Sciences | Pinchen Xie Roberto Car Weinan E | 2024/3/29 |
First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO2 | The Journal of Physical Chemistry B | Reha Mathur Maria Carolina Muniz Shuwen Yue Roberto Car Athanassios Z Panagiotopoulos | 2023/5/17 |
First-principles path-integral molecular dynamics study of ferroelectricity and isotope effects in KDP crystals with deep neural networks | APS March Meeting Abstracts | Bingjia Yang Pinchen Xie Roberto Car | 2023 |
Critical behavior in a chiral molecular model | The Journal of Chemical Physics | Pablo M Piaggi Roberto Car Frank H Stillinger Pablo G Debenedetti | 2023/9/21 |
Characterizing Structure-Dependent TiS2/Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics | The Journal of Physical Chemistry C | Lesheng Li Marcos F Calegari Andrade Roberto Car Annabella Selloni Emily A Carter | 2023/5/15 |
Ab initio-based deep potential simulation of 2D confined water | APS March Meeting Abstracts | Iman Ahmadabadi Marcos Calegari Andrade Pablo Piaggi Roberto Car | 2023 |
DeePMD-kit v2: A software package for deep potential models | The Journal of Chemical Physics | Jinzhe Zeng Duo Zhang Denghui Lu Pinghui Mo Zeyu Li | 2023/4/19 |
Hybrid auxiliary field quantum Monte Carlo for molecular systems | Journal of Chemical Theory and Computation | Yixiao Chen Linfeng Zhang Weinan E Roberto Car | 2023/4/18 |
Melting curves of ice polymorphs in the vicinity of the liquid–liquid critical point | The Journal of Chemical Physics | Pablo M Piaggi Thomas E Gartner III Roberto Car Pablo G Debenedetti | 2023/8/7 |
