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Journal of Chemical Theory and Computation|January 11, 2024
Development of Heteroatomic Constant Potential Method with Application to MXene-Based SupercapacitorsXiaobo Lin, Shern R Tee, Paul R C Kent, et al.Journal of Chemical Theory and Computation|April 14, 2023
Constant Potential and Constrained Charge Ensembles for Simulations of Conductive ElectrodesShern R Tee, Debra J SearlesThe Journal of Chemical Physics|May 14, 2022
Fully periodic, computationally efficient constant potential molecular dynamics simulations of ionic liquid supercapacitorsShern R Tee, Debra J SearlesJournal of Chemical Theory and Computation|November 21, 2024
Local Temperature Measurement in Molecular Dynamics Simulations with Rigid ConstraintsStephen Sanderson, Shern R Tee, Debra J SearlesACS Nano|November 2, 2011
Role of polytetrahedral structures in the elongation and rupture of gold nanowiresChristopher R Iacovella, William R French, Brandon G Cook, et al.Physical Chemistry Chemical Physics : PCCP|March 17, 2016
Lithium storage on carbon nitride, graphenylene and inorganic graphenyleneMarlies Hankel, Debra J SearlesPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 12, 2012
Contribution of the stochastic forces to the fluctuation theoremGuillaume Michel, Debra J SearlesPhysical Review Letters|July 16, 2013
Local fluctuation theorem for large systemsGuillaume Michel, Debra J SearlesThe Journal of Physical Chemistry. B|June 22, 2022
NMR and Theoretical Study of In-Pore Diffusivity of Ionic Liquid-Solvent MixturesJinlei Cui, Xiaobo Lin, Wei Zhao, et al.Nanomaterials (Basel, Switzerland)|November 3, 2020
Investigation of the Ionic Liquid Graphene Electric Double Layer in Supercapacitors Using Constant Potential SimulationsBaris Demir, Debra J SearlesPageof 32