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

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