| Quantum effects in H-bond symmetrization and in thermodynamic properties of high pressure ice M Cherubini, L Monacelli, B Yang, R Car, M Casula, F Mauri Physical Review B 110 (1), 014112, 2024 | | 2024 |
| Deuteration removes quantum dipolar defects from KDP crystals B Yang, P Xie, R Car arXiv preprint arXiv:2404.08125, 2024 | | 2024 |
| Enhanced Deep Potential Model for Fast and Accurate Molecular Dynamics; Application to the Hydrated Electron R Gao, Y Li, R Car arXiv preprint arXiv:2404.04370, 2024 | 1 | 2024 |
| Ab initio generalized Langevin equation P Xie, R Car, W E Proceedings of the National Academy of Sciences 121 (14), e2308668121, 2024 | 6 | 2024 |
| Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations C Zhang, MC Andrade, ZK Goldsmith, AS Raman, Y Li, P Piaggi, X Wu, ... arXiv preprint arXiv:2404.00167, 2024 | | 2024 |
| Assessing the Accuracy of Various Exchange-Correlation Functionals in Capturing Nuclear Quantum Effects on the Melting Point of Ice Ih Y Li, B Yang, C Zhang, R Car Bulletin of the American Physical Society, 2024 | | 2024 |
| A molecular-scale picture of the electrical double layer at TiO2-electrolyte interfaces C Zhang, M Andrade, Z Goldsmith, A Raman, Y Li, P Piaggi, X Wu, ... Bulletin of the American Physical Society, 2024 | | 2024 |
| Modeling coarse-grained lattice dynamics with ab initio generalized Langevin equation P Xie, R Car Bulletin of the American Physical Society, 2024 | | 2024 |
| Simulating the ferroelectric phase transition with machine learning models R Car Bulletin of the American Physical Society, 2024 | | 2024 |
| Improved Deep Potential Model for Fast and Accurate Molecular Dynamics Simulations R Gao, R Car Bulletin of the American Physical Society, 2024 | | 2024 |
| Deep Potential Molecular Dynamics Study of PMN Relaxor Ferroelectricity K Cai, P Xie, R Car Bulletin of the American Physical Society, 2024 | | 2024 |
| A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar PM Piaggi, A Selloni, AZ Panagiotopoulos, R Car, PG Debenedetti Faraday Discussions 249, 98-113, 2024 | 12 | 2024 |
| Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics M Calegari Andrade, R Car, A Selloni Proceedings of the National Academy of Sciences 120 (46), e2302468120, 2023 | 11 | 2023 |
| Neural network water model based on the MB-pol many-body potential MC Muniz, R Car, AZ Panagiotopoulos The Journal of Physical Chemistry B 127 (42), 9165-9171, 2023 | 4 | 2023 |
| Critical behavior in a chiral molecular model PM Piaggi, R Car, FH Stillinger, PG Debenedetti The Journal of Chemical Physics 159 (11), 2023 | 2 | 2023 |
| DeePMD-kit v2: A software package for deep potential models J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ... The Journal of Chemical Physics 159 (5), 2023 | 116 | 2023 |
| Melting curves of ice polymorphs in the vicinity of the liquid–liquid critical point PM Piaggi, TE Gartner, R Car, PG Debenedetti The Journal of Chemical Physics 159 (5), 2023 | 2 | 2023 |
| Thermal conductivity of water at extreme conditions C Zhang, M Puligheddu, L Zhang, R Car, G Galli The Journal of Physical Chemistry B 127 (31), 7011-7017, 2023 | 5 | 2023 |
| First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO2 R Mathur, MC Muniz, S Yue, R Car, AZ Panagiotopoulos The Journal of Physical Chemistry B 127 (20), 4562-4569, 2023 | 7 | 2023 |
| Characterizing Structure-Dependent TiS2/Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics L Li, MF Calegari Andrade, R Car, A Selloni, EA Carter The Journal of Physical Chemistry C 127 (20), 9750-9758, 2023 | 8 | 2023 |
