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Robert A. DiStasio Jr.
Robert A. DiStasio Jr.
Assistant Professor, Chemistry and Chemical Biology, Cornell University
Verified email at cornell.edu - Homepage
Title
Cited by
Cited by
Year
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
46042017
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
27812006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
26652015
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
13092012
Current status of the AMOEBA polarizable force field
JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ...
The journal of physical chemistry B 114 (8), 2549-2564, 2010
12902010
Long-range correlation energy calculated from coupled atomic response functions
A Ambrosetti, AM Reilly, RA DiStasio Jr, A Tkatchenko
The Journal of chemical physics 140 (18), 18A508, 2014
5252014
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
4762016
First-principles models for van der Waals interactions in molecules and materials: Concepts, theory, and applications
J Hermann, RA DiStasio Jr, A Tkatchenko
Chemical Reviews 117 (6), 4714-4758, 2017
4392017
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 084801, 2021
2762021
Optimized spin-component scaled second-order Møller-Plesset perturbation theory for intermolecular interaction energies
RA DiStasio Jr, M Head-Gordon
Molecular Physics 105 (8), 1073-1083, 2007
2762007
Dispersion-corrected Møller–Plesset second-order perturbation theory
A Tkatchenko, RA DiStasio Jr, M Head-Gordon, M Scheffler
The Journal of chemical physics 131 (9), 094106, 2009
2562009
The Individual and Collective Effects of Exact Exchange and Dispersion Interactions on the Ab Initio Structure of Liquid Water
RA DiStasio Jr, B Santra, Z Li, X Wu, R Car
J. Chem. Phys. 141, 084502, 2014
2552014
Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain
S Xie, L Tu, Y Han, L Huang, K Kang, KU Lao, P Poddar, C Park, ...
Science 359 (6380), 1131-1136, 2018
2492018
Wavelike charge density fluctuations and van der Waals interactions at the nanoscale
A Ambrosetti, N Ferri, RA DiStasio Jr, A Tkatchenko
Science 351 (6278), 1171-1176, 2016
2452016
Collective many-body van der Waals interactions in molecular systems
RA DiStasio Jr, OA von Lilienfeld, A Tkatchenko
Proceedings of the National Academy of Sciences 109 (37), 14791-14795, 2012
2242012
Many-body van der Waals interactions in molecules and condensed matter
RA DiStasio, VV Gobre, A Tkatchenko
Journal of Physics: Condensed Matter 26 (21), 213202, 2014
1962014
Hard numbers for large molecules: Toward exact energetics for supramolecular systems
A Ambrosetti, D Alfè, RA DiStasio Jr, A Tkatchenko
The Journal of Physical Chemistry Letters 5 (5), 849-855, 2014
1782014
Many‐body dispersion interactions in molecular crystal polymorphism
N Marom, RA DiStasio Jr, V Atalla, S Levchenko, AM Reilly, ...
Angewandte Chemie International Edition 52 (26), 6629-6632, 2013
1732013
Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem
A Tkatchenko, A Ambrosetti, RA DiStasio Jr
The Journal of Chemical Physics 138 (7), 074106, 2013
1682013
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer
M Chen, L Zheng, B Santra, HY Ko, RA DiStasio Jr, ML Klein, R Car, X Wu
Nature chemistry 10 (4), 413-419, 2018
1612018
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