Car, Roberto

1. Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning
   2020/05/01 by Weile Jia, Han Wang, Jia, Weile +13 · 18 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Protein Structure and Dynamics
2. Enhanced Deep Potential Model for Fast and Accurate Molecular Dynamics; Application to the Hydrated Electron
   2024/04/05 by Gao, Ruiqi, Li, Yifan, Car, Roberto · 5 citations
   #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences
3. Thermal Conductivity of Water at Extreme Conditions
   2023/05/08 by Cunzhi Zhang, Marcello Puligheddu, Zhang, Cunzhi +7 · 2 citations
   Computer Science · Engineering · Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Phase Equilibria and Thermodynamics #Seismology and Earthquake Studies #Statistical Mechanics and Entropy
4. Quantum effects in the H-bond symmetrization and in the thermodynamic properties of high pressure ice
   2024/03/14 by Marco Cherubini, Cherubini, Marco, Lorenzo Monacelli +9 · 2 citations
   Earth and Planetary Sciences · Engineering · Physics and Astronomy · #FOS: Physical sciences #High-pressure geophysics and materials #Materials Science (cond-mat.mtrl-sci) #Other Condensed Matter (cond-mat.other) #Phase Equilibria and Thermodynamics #Quantum, superfluid, helium dynamics
5. Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces
   2025/04/08 by Yong Wang, Wang, Yong, Yifan Li +13 · 3 citations
   Physics and Astronomy · Chemistry · #Spectroscopy and Quantum Chemical Studies #Random lasers and scattering media #Surfactants and Colloidal Systems
6. Deep Potential and Deep Wannier models for KH2PO4&KD2PO4
   2024/04/11 by Bingjia Yang, Pinchen Xie, Yang, Bingjia +3 · 1 citation
   Chemistry · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Molecular Sensors and Ion Detection #Statistical Mechanics (cond-mat.stat-mech)
7. Ab Initio bulk free energy surface of proper ferroelectrics
   2022/05/24 by Xie, Pinchen, Chen, Yixiao, Xu, Xinyu +3 · 1 citation
   #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)