Abstract
Accelerated Molecular Dynamics with the Bond Boost Method
Kristen Fichthorn
Pennsylvania State University
I will discuss the bond-boost method for accelerated molecular dynamics simulation of rare events, a recently developed parallel version of this method, and its application to:
Simulating metal and semiconductor thin-film growth
Ab initio accelerated molecular dynamics of surface diffusionTemperature-programmed desorption
Temperature-programmed desorption
Simulating metal and semiconductor thin-film growth
Ab initio accelerated molecular dynamics of surface diffusionTemperature-programmed desorption
Temperature-programmed desorption
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