P
Peter T. Cummings
Researcher at Vanderbilt University
Publications - 536
Citations - 20584
Peter T. Cummings is an academic researcher from Vanderbilt University. The author has contributed to research in topics: Molecular dynamics & Supercritical fluid. The author has an hindex of 69, co-authored 521 publications receiving 18942 citations. Previous affiliations of Peter T. Cummings include University of Guelph & Oak Ridge National Laboratory.
Papers
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Journal ArticleDOI
Analytic studies of the hard dumbell fluid II. A generalized zero pole approximation
Journal ArticleDOI
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework
Peter T. Cummings,Clare McCabe,Christopher R. Iacovella,Akos Ledeczi,Eric Jankowski,Arthi Jayaraman,Jeremy C. Palmer,Edward J. Maginn,Sharon C. Glotzer,Joshua T. Anderson,J. Ilja Siepmann,Jeffrey J. Potoff,Ray A. Matsumoto,Justin B. Gilmer,Ryan S. DeFever,Ramanish Singh,Brad Crawford +16 more
TL;DR: MoSDeF is an open-source Python software stack that enables facile use of multiple open- source molecular simulation engines, while at the same time ensuring maximum reproducibility.
Book ChapterDOI
Molecular Simulation of Near-Critical and Supercritical Fluids
TL;DR: This chapter focuses on the mechanics of performing molecular dynamics simulations, the application of molecular dynamics methods to near-critical and supercritical fluids and mixtures, and a review of molecular simulation work applied to aqueous systems.
Journal ArticleDOI
Applications of Integral Equation Calculations to High-Temperature Solvation Phenomena
Ariel A. Chialvo,Ariel A. Chialvo,P. G. Kusalik,V. Kalyuzhnyi,Peter T. Cummings,Peter T. Cummings +5 more
TL;DR: In this article, the solvation of infinitely dilute solutes in supercritical solvents is illustrated by integral equation calculations, according to a recently proposed molecular-based formalism that characterizes the solvent environment around individual species.
Journal ArticleDOI
Identifying Water–Anion Correlated Motion in Aqueous Solutions through Van Hove Functions
Yuya Shinohara,Ray A. Matsumoto,Matthew Thompson,Chae Woo Ryu,Wojciech Dmowski,Takuya Iwashita,Daisuke Ishikawa,Alfred Q. R. Baron,Peter T. Cummings,Takeshi Egami,Takeshi Egami +10 more
TL;DR: The real-space observations of the molecular/ionic-correlated dynamics of aqueous salt solutions using the Van Hove functions obtained by high-resolution X-ray scattering measurement and molecular dynamics simulation are reported.