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Materials (Basel, Switzerland)|August 10, 2019
An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in TungstenLuis Sandoval, Danny Perez, Blas P Uberuaga, et al.The Journal of Chemical Physics|August 24, 2019
Computing long time scale biomolecular dynamics using quasi-stationary distribution kinetic Monte Carlo (QSD-KMC)Animesh Agarwal, Nicolas W Hengartner, S Gnanakaran, et al.Annual Review of Chemical and Biomolecular Engineering|March 17, 2016
The Modern Temperature-Accelerated Dynamics ApproachRichard J Zamora, Blas P Uberuaga, Danny Perez, et al.Physical Review Letters|August 29, 2014
Entropic stabilization of nanoscale voids in materials under tensionDanny Perez, Sheng-Nian Luo, Arthur F Voter, et al.Scientific Reports|March 14, 2015
The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiencyBlas Pedro Uberuaga, Louis J Vernon, Enrique Martinez, et al.Journal of Chemical Theory and Computation|November 27, 2015
Bad Seeds Sprout Perilous Dynamics: Stochastic Thermostat Induced Trajectory Synchronization in BiomoleculesDaniel J Sindhikara, Seonah Kim, Arthur F Voter, et al.Physical Review Letters|October 4, 2003
Mechanisms and rates of interstitial H2 diffusion in crystalline C60Blas P Uberuaga, Arthur F Voter, Kurt Ken Sieber, et al.The Journal of Chemical Physics|October 23, 2017
Cluster analysis of accelerated molecular dynamics simulations: A case study of the decahedron to icosahedron transition in Pt nanoparticlesRao Huang, Li-Ta Lo, Yuhua Wen, et al.The Journal of Chemical Physics|April 24, 2015
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamicsEnrique Martínez, Marc J Cawkwell, Arthur F Voter, et al.Journal of Chemical Theory and Computation|November 26, 2015
Long-Time Dynamics through Parallel Trajectory SplicingDanny Perez, Ekin D Cubuk, Amos Waterland, et al.Pageof 4