Robert A. DiStasio Jr.
Robert A. DiStasio Jr.
Assistant Professor, Chemistry and Chemical Biology, Cornell University
Verified email at - Homepage
Cited by
Cited by
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
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
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
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
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
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
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
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
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
Collective many-body van der Waals interactions in molecular systems
RA DiStasio, OA von Lilienfeld, A Tkatchenko
Proceedings of the National Academy of Sciences 109 (37), 14791-14795, 2012
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
Wavelike charge density fluctuations and van der Waals interactions at the nanoscale
A Ambrosetti, N Ferri, RA DiStasio, A Tkatchenko
Science 351 (6278), 1171-1176, 2016
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
Many-body van der Waals interactions in molecules and condensed matter
RA DiStasio Jr, VV Gobre, A Tkatchenko
Journal of Physics: Condensed Matter 26 (21), 213202, 2014
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
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
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
An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide …
RA Distasio Jr, RP Steele, YM Rhee, Y Shao, M Head‐Gordon
Journal of Computational Chemistry 28 (5), 839-856, 2007
On the T-shaped structures of the benzene dimer
RA DiStasio Jr, G von Helden, RP Steele, M Head-Gordon
Chemical Physics Letters 437 (4-6), 277-283, 2007
Semiempirical double-hybrid density functional with improved description of long-range correlation
T Benighaus, RA DiStasio, RC Lochan, JD Chai, M Head-Gordon
The Journal of Physical Chemistry A 112 (12), 2702-2712, 2008
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