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Ab initio generalized Langevin equation.
Xie P, Car R, E W. Xie P, et al. Among authors: car r. Proc Natl Acad Sci U S A. 2024 Apr 2;121(14):e2308668121. doi: 10.1073/pnas.2308668121. Epub 2024 Mar 29. Proc Natl Acad Sci U S A. 2024. PMID: 38551836 Free PMC article.
Ab initio theory and modeling of water.
Chen M, Ko HY, Remsing RC, Calegari Andrade MF, Santra B, Sun Z, Selloni A, Car R, Klein ML, Perdew JP, Wu X. Chen M, et al. Among authors: car r. Proc Natl Acad Sci U S A. 2017 Oct 10;114(41):10846-10851. doi: 10.1073/pnas.1712499114. Epub 2017 Sep 25. Proc Natl Acad Sci U S A. 2017. PMID: 28973868 Free PMC article.
Phase Diagram of a Deep Potential Water Model.
Zhang L, Wang H, Car R, E W. Zhang L, et al. Among authors: car r. Phys Rev Lett. 2021 Jun 11;126(23):236001. doi: 10.1103/PhysRevLett.126.236001. Phys Rev Lett. 2021. PMID: 34170175
Homogeneous ice nucleation in an ab initio machine-learning model of water.
Piaggi PM, Weis J, Panagiotopoulos AZ, Debenedetti PG, Car R. Piaggi PM, et al. Among authors: car r. Proc Natl Acad Sci U S A. 2022 Aug 16;119(33):e2207294119. doi: 10.1073/pnas.2207294119. Epub 2022 Aug 8. Proc Natl Acad Sci U S A. 2022. PMID: 35939708 Free PMC article.
Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems.
Chen Y, Zhang L, E W, Car R. Chen Y, et al. Among authors: car r. J Chem Theory Comput. 2023 Jul 25;19(14):4484-4493. doi: 10.1021/acs.jctc.3c00038. Epub 2023 Apr 18. J Chem Theory Comput. 2023. PMID: 37071815 Free PMC article.
178 results