Follow
Robert A. DiStasio Jr.
Robert A. DiStasio Jr.
Associate 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
67292017
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
30462015
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
29152006
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
14822012
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
14572010
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), 2021
6712021
Long-range correlation energy calculated from coupled atomic response functions
A Ambrosetti, AM Reilly, RA DiStasio, A Tkatchenko
The Journal of chemical physics 140 (18), 2014
6402014
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
5812016
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
5212017
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
3162018
Dispersion-corrected Mřller–Plesset second-order perturbation theory
A Tkatchenko, RA DiStasio, M Head-Gordon, M Scheffler
The Journal of chemical physics 131 (9), 2009
3072009
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
2912014
Optimized spin-component scaled second-order Mřller-Plesset perturbation theory for intermolecular interaction energies
RA DiStasio Jr, M Head-Gordon
Molecular Physics 105 (8), 1073-1083, 2007
2872007
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
2802016
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
2442012
Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
Y Yang, CR Peltier, R Zeng, R Schimmenti, Q Li, X Huang, Z Yan, G Potsi, ...
Chemical Reviews 122 (6), 6117-6321, 2022
2352022
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
2152018
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
2112014
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
1902013
Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem
A Tkatchenko, A Ambrosetti, RA DiStasio
The Journal of Chemical Physics 138 (7), 2013
1892013
The system can't perform the operation now. Try again later.
Articles 1–20