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The Journal of Chemical Physics|February 26, 2026
On the importance of numerical integration details for homogeneous flow simulationStephen Sanderson, Debra J SearlesPhysical Chemistry Chemical Physics : PCCP|March 9, 2022
Equilibrium distribution functions: connection with microscopic dynamicsCharlotte F Petersen, Debra J SearlesJournal of Colloid and Interface Science|August 20, 2025
Interphase diffusion in two-phase fluids: local dynamics and finite-size effectsQuang K Loi, Debra J SearlesThe Journal of Chemical Physics|November 10, 2006
Effect of solvation and confinement on the trans-gauche isomerization reaction in n-butaneKarl P Travis, Debra J SearlesLangmuir : the ACS Journal of Surfaces and Colloids|July 16, 2024
Reaction Dynamics of CO2 Hydrogenation on Iron Catalysts Using ReaxFF Molecular Dynamics SimulationQuang K Loi, Debra J SearlesThe Journal of Chemical Physics|October 9, 2025
Structure and dynamics of water-in-salt LiTFSI electrolytes from first-principles molecular dynamics simulationsRamanish Singh, Xiaobo Lin, Yong Zhang, et al.The Journal of Physical Chemistry. A|March 16, 2016
Reversible Hydrogen Uptake by BN and BC3 Monolayers Functionalized with Small Fe Clusters: A Route to Effective Energy StorageTanveer Hussain, Debra J Searles, Keisuke TakahashiACS Applied Materials & Interfaces|June 1, 2017
Biphenylene and Phagraphene as Lithium Ion Battery Anode MaterialsDavid Ferguson, Debra J Searles, Marlies HankelThe Journal of Chemical Physics|March 25, 2006
Temporal asymmetry of fluctuations in nonequilibrium steady statesCarlo Paneni, Debra J Searles, Lamberto RondoniThe Journal of Chemical Physics|May 5, 2007
Non-Hamiltonian molecular dynamics implementation of the Gibbs ensemble method. II. Molecular liquid-vapor results for carbon dioxideChristoph Bratschi, Hanspeter Huber, Debra J SearlesPageof 32