Robert A. DiStasio Jr., Ph.D.

Affiliations: 
Cornell University, Ithaca, NY, United States 
Area:
Theoretical Chemistry
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"Robert DiStasio Jr."
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Parents

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William A. Goddard, III research assistant 2003-2004 Caltech
Martin Head-Gordon grad student 2004-2009 UC Berkeley
 (Local and canonical approximations in Moller-Plesset perturbation theory with applications to dispersion interactions.)
Roberto Car post-doc 2009-2015 Princeton

Children

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Yang Yang grad student 2016- Cornell
Rahul Maitra post-doc 2015-2016 Cornell

Collaborators

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Biswajit Santra collaborator (Physics Tree)
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Publications

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Veit M, Wilkins DM, Yang Y, et al. (2020) Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles. The Journal of Chemical Physics. 153: 024113
Song L, Fu N, Ernst BG, et al. (2020) Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes. Nature Chemistry
Ernst BG, Lao KU, Sullivan AG, et al. (2020) Attracting Opposites: Promiscuous Ion-π Binding in the Nucleobases. The Journal of Physical Chemistry. A
Hu A, Keresztes I, MacMillan SN, et al. (2020) Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors that Strongly Chelates Lanthanides. Inorganic Chemistry
Ko HY, Jia J, Santra B, et al. (2020) Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Molecular Dynamics I: Theory, Algorithm, and Performance. Journal of Chemical Theory and Computation
Suh T, Yang Y, Zhao P, et al. (2020) Competitive Adsorption as a Route to Area-Selective Deposition. Acs Applied Materials & Interfaces
Yang Y, Lao KU, Wilkins DM, et al. (2019) Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases. Scientific Data. 6: 152
Hoja J, Ko HY, Neumann MA, et al. (2019) Reliable and practical computational description of molecular crystal polymorphs. Science Advances. 5: eaau3338
Wilkins DM, Grisafi A, Yang Y, et al. (2019) Accurate molecular polarizabilities with coupled cluster theory and machine learning. Proceedings of the National Academy of Sciences of the United States of America
Yang Y, Lao KU, DiStasio RA. (2019) Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials. Physical Review Letters. 122: 026001
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