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
More filters
Journal ArticleDOI
Residence time calculation for chemotactic bacteria within porous media
TL;DR: The results of the computer simulations showed that chemotaxis can increase migration through a porous medium in response to microscopic-scale gradients, and suggested that a more significant role ofChemotaxis may be to increase the residence time of the bacteria in the vicinity of an attractant source.
Book ChapterDOI
A Hierarchical, Component Based Approach to Screening Properties of Soft Matter
Christoph Klein,Janos Sallai,Trevor J. Jones,Christopher R. Iacovella,Clare McCabe,Peter T. Cummings +5 more
TL;DR: A refined version of this software, termed mBuild, is presented, which is a general tool for constructing arbitrarily complex input configurations for molecular simulation in a programmatic fashion, and serves as a stepping stone towards screening and performing optimizations in chemical parameter space of complex materials.
Journal ArticleDOI
Computational Chemistry for Molecular Electronics
Predrag S Krstic,D. J. Dean,X.-G. Zhang,David J. Keffer,Yongsheng Leng,Peter T. Cummings,Peter T. Cummings,Jack C. Wells +7 more
TL;DR: In this article, a synergetic effort of a group of theorists to characterize a molecular electronics device through a multiscale modeling approach is presented, which combines electronic-structure calculations with molecular dynamics and Monte Carlo simulations to predict the structure of self-assembled molecular monolayers on a metal surface.
Journal ArticleDOI
Resummed thermodynamic perturbation theory for central force associating potential: One-patch model.
TL;DR: A resummed thermodynamic perturbation theory for associating fluids with multiply bondable central force associating potential with very good agreement between predictions of the theory, corrected for ring formation, and Monte Carlo computer simulation values was found.
Journal ArticleDOI
Predicting the Newtonian viscosity of complex fluids from high strain rate molecular simulations
TL;DR: It is demonstrated that using a simple scaling relation enables us to predict the Newtonian viscosity of a molecule at any state point for a small fraction of the time that it takes to obtain the same result through nonequilibrium or equilibrium molecular dynamics simulation.