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Roberto Car
Roberto Car
Ralph W Dornte Professor in Chemistry, Princeton University
Verified email at princeton.edu
Title
Cited by
Year
‘‘Abinitio’’ liquid water
K Laasonen, M Sprik, M Parrinello, R Car
The Journal of chemical physics 99 (11), 9080-9089, 1993
7721993
\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
2512
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
92014
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
1632021
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
502002
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
1271999
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
1042022
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
321991
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
12013
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
122024
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
111975
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
1541996
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
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