‘‘Ab initio’’ liquid water K Laasonen, M Sprik, M Parrinello, R Car The Journal of chemical physics 99 (11), 9080-9089, 1993 | 772 | 1993 |
\textbf {A new graph-matching-based algorithm to study dynamical processes} F Martelli, HY Ko, R Car Bulletin of the American Physical Society 61, 2016 | | 2016 |
\textbf {Unraveling the microscopic pathway of homogeneous water crystallization at supercooled conditions from direct simulations} F Martelli, J Palmer, R Singh, P Debenedetti, R Car Bulletin of the American Physical Society 61, 2016 | | 2016 |
\textit {In Situ} Characterization of Nanostructures Using Rayleigh Scattering B Santra, MN Shneider, R Car Bulletin of the American Physical Society 61, 2016 | | 2016 |
& Wentzcovitch, RM (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of physics: Condensed matter 21 (39), 395502, 12 | 25 | 12 |
3D Dirac semimetals: current materials, design principles and predictions of new materials QD Gibson, LM Schoop, L Muechler, LS Xie, M Hirschberger, NP Ong, ... arXiv preprint arXiv:1411.0005, 2014 | 9 | 2014 |
86 PFLOPS deep potential molecular dynamics simulation of 100 million atoms with ab initio accuracy D Lu, H Wang, M Chen, L Lin, R Car, E Weinan, W Jia, L Zhang Computer Physics Communications 259, 107624, 2021 | 163 | 2021 |
A classical and ab initio study of the interaction of the myosin triphosphate binding domain with ATP TJ Minehardt, N Marzari, R Cooke, E Pate, PA Kollman, R Car Biophysical Journal 82 (2), 660-675, 2002 | 50 | 2002 |
A comparison of methods for the calculation of NMR chemical shifts T Gregor, F Mauri, R Car The Journal of chemical physics 111 (5), 1815-1822, 1999 | 127 | 1999 |
A deep potential model with long-range electrostatic interactions L Zhang, H Wang, MC Muniz, AZ Panagiotopoulos, R Car The Journal of Chemical Physics 156 (12), 2022 | 104 | 2022 |
A density functional molecular dynamics study of the bonding and stability of Mg n clusters (n=2−13) V Kumar, R Car Zeitschrift für Physik D Atoms, Molecules and Clusters 19, 177-179, 1991 | 32 | 1991 |
A favorably-scaling natural-orbital functional theory based on higher-order occupation probabilities R Gebauer, MH Cohen, R Car arXiv preprint arXiv:1309.3929, 2013 | 1 | 2013 |
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 |
A hybrid version of the SCAN functional including long-range dispersion interactions HY Ko, MF Calegari Andrade, B Santra, A Selloni, R Car APS March Meeting Abstracts 2017, P1. 003, 2017 | | 2017 |
A long scintillation counter for precise measurement of time of flight and impact position B Ghidini, K Müller, J Eades, B French, L Mandelli, F Navach, V Picciarelli, ... Nuclear Instruments and Methods 125 (3), 357-363, 1975 | 11 | 1975 |
A microscopic model for surface-induced diamond-to-graphite transitions A De Vita, G Galli, A Canning, R Car Nature 379 (6565), 523-526, 1996 | 154 | 1996 |
A model approach to modelling R Car, M Parrinello Nature Materials 9 (9), 687-687, 2010 | | 2010 |
A molecular dynamics study of water crystallization using deep neural network potentials of ab-initio quality P Piaggi, R Car Bulletin of the American Physical Society 65, 2020 | | 2020 |
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 |
A new graph-matching-based algorithm to study dynamical processes F Martelli, HY Ko, R Car APS March Meeting Abstracts 2016, K36. 004, 2016 | | 2016 |