R
Robert A. DiStasio
Researcher at Cornell University
Publications - 99
Citations - 20279
Robert A. DiStasio is an academic researcher from Cornell University. The author has contributed to research in topics: Density functional theory & van der Waals force. The author has an hindex of 37, co-authored 91 publications receiving 15391 citations. Previous affiliations of Robert A. DiStasio include Princeton University & Ithaca College.
Papers
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Journal Article
Large-Scale Hybrid Density Functional Theory Calculations in the Condensed-Phase: \textit{Ab Initio} Molecular Dynamics in the Isobaric-Isothermal Ensemble
Journal Article
The Role of Many-Body Dispersion Interactions in Molecular Crystal Polymorphism
Leslie Leiserowitz,Noa Marom,Robert A. DiStasio,Viktor Atalla,Sergey V. Levchenko,Sergey Kapishnikov,James R. Chelikowsky,Alexandre Tkatchenko +7 more
TL;DR: It is shown that accounting for the nonadditive many-body dispersion (MBD) energy beyond the standard pairwise approximation is crucial for the correct qualitative and quantitative description of polymorphism in molecular crystals.
Journal Article
Van der Waals Interactions in Pyridine and Pyridine-like Molecular Crystals: An \textit{ab initio} Molecular Dynamics Study
Substrate Induced van der Waals Force Effect on the Stability of Violet Phosphorous
TL;DR: In this article , the role of van der Waals forces between monolayers of exfoliable materials with their substrates and how this interface force influences their interaction with the environment is investigated.
Journal Article
Attracting Opposites: Promiscuous Ion-π Binding in the DNA Nucleobases
TL;DR: In this article, a detailed theoretical case study of the DNA/RNA nucleobases was conducted to examine the competing notions of selectivity and flexibility in this class of non-covalent interactions by investigating how certain π-systems can be promiscuous ion-π binders with the versatility to form favorable cation-and anion-π complexes.