Title: Applications of LAMMPS GPU to soft matter simulations

Presenter: Trung Nguyen

Affiliation: Oak Ridge National Laboratory

Abstract: In this talk we present our contribution to the LAMMPS GPU package which includes implementing the GPU version of existing potentials and adding new ones. We report three applications of the GPU package to the ongoing scientific projects at ORNL: i) the effects of truncated electrostatics on the structural and mechanical properties of charged bottle brushes; ii) the competition between collapse and breakup of copper thin films on a solid substrate and iii) the dewetting mechanism of metallic and liquid crystal thin films. The efficient use of the GPU package in these particular systems will also be discussed.