Roberto Car
Roberto Car
Ralph W Dornte Professor in Chemistry, Princeton University
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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, 2009
Unified Approach for Molecular Dynamics and Density Functional Theory
R Car, M Parrinello
Phys. Rev. Lett 55 (22), 2471, 1985
Raman spectra of graphite oxide and functionalized graphene sheets
KN Kudin, B Ozbas, HC Schniepp, RK Prud'Homme, IA Aksay, R Car
Nano letters 8 (1), 36-41, 2008
Functionalized single graphene sheets derived from splitting graphite oxide
HC Schniepp, JL Li, MJ McAllister, H Sai, M Herrera-Alonso, ...
The Journal of Physical Chemistry B 110 (17), 8535-8539, 2006
Single sheet functionalized graphene by oxidation and thermal expansion of graphite
MJ McAllister, JL Li, DH Adamson, HC Schniepp, AA Abdala, J Liu, ...
Chemistry of materials 19 (18), 4396-4404, 2007
Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials
K Laasonen, A Pasquarello, R Car, C Lee, D Vanderbilt
Physical Review B 47 (16), 10142, 1993
Accurate and efficient method for many-body van der Waals interactions
A Tkatchenko, RA DiStasio Jr, R Car, M Scheffler
Physical review letters 108 (23), 236402, 2012
‘‘Ab initio’’ liquid water
K Laasonen, M Sprik, M Parrinello, R Car
The Journal of chemical physics 99 (11), 9080-9089, 1993
Oxygen-driven unzipping of graphitic materials
JL Li, KN Kudin, MJ McAllister, RK Prud’homme, IA Aksay, R Car
Physical review letters 96 (17), 176101, 2006
Theory of quantum annealing of an Ising spin glass
GE Santoro, R Martoňák, E Tosatti, R Car
Science 295 (5564), 2427-2430, 2002
Orbital formulation for electronic-structure calculations with linear system-size scaling
F Mauri, G Galli, R Car
Physical Review B 47 (15), 9973, 1993
Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics
K Laasonen, R Car, C Lee, D Vanderbilt
Physical Review B 43 (8), 6796, 1991
Published on 19 October 2011 on http://pubs. rsc. org| doi: 10.1039/C1CP22506E L. Martin-Samos, N
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C …, 2009
Deep potential molecular dynamics: a scalable model with the accuracy of quantum mechanics
L Zhang, J Han, H Wang, R Car, E Weinan
Physical review letters 120 (14), 143001, 2018
Identification of Raman defect lines as signatures of ring structures in vitreous silica
A Pasquarello, R Car
Physical Review Letters 80 (23), 5145, 1998
Electronic and structural properties of sodium clusters
JL Martins, J Buttet, R Car
Physical Review B 31 (4), 1804, 1985
Two-dimensional self-assembly of supramolecular clusters and chains
M Böhringer, K Morgenstern, WD Schneider, R Berndt, F Mauri, A De Vita, ...
Physical Review Letters 83 (2), 324, 1999
Electronic structure and localized states at carbon nanotube tips
DL Carroll, P Redlich, PM Ajayan, JC Charlier, X Blase, A De Vita, R Car
Physical review letters 78 (14), 2811, 1997
Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K
A Pasquarello, K Laasonen, R Car, C Lee, D Vanderbilt
Physical review letters 69 (13), 1982, 1992
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