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The Journal of Chemical Physics|March 10, 2019
An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulationsLin Qin, Christoph Dellago, Ernst KozeschnikMaterials (Basel, Switzerland)|September 14, 2024
Subgrain Size Modeling and Substructure Evolution in an AA1050 Aluminum Alloy during High-Temperature CompressionQi Yang, Tomasz Wojcik, Ernst KozeschnikComputational Materials Science|August 30, 2016
Atomistic and continuums modeling of cluster migration and coagulation in precipitation reactionsPiotr Warczok, Jaroslav Ženíšek, Ernst KozeschnikThe Journal of Physical Chemistry. B|February 21, 2017
Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common ModelsMarcello Sega, Christoph DellagoThe Journal of Physical Chemistry. B|February 6, 2008
Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: free energetics of an excess proton in a water dropletJürgen Köfinger, Christoph DellagoNano Letters|May 14, 2009
Nucleation and growth in structural transformations of nanocrystalsMichael Grünwald, Christoph DellagoPhysical Review Letters|February 7, 2007
Kinetics and mechanism of proton transport across membrane nanoporesChristoph Dellago, Gerhard HummerPhysical Review. B, Condensed Matter and Materials Physics|October 25, 2011
Microscopic properties of nanopore water from its time-dependent dielectric responseJürgen Köfinger, Christoph DellagoThe Journal of Chemical Physics|October 10, 2014
Folding mechanism of a polymer chain with short-range attractionsChristian Leitold, Christoph DellagoPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 12, 2003
Simulation strategies and signatures of chaos in classical nonlinear responseChristoph Dellago, Shaul MukamelPageof 53