Workshop Agenda

Part 1. Technical Session

Accelerating VASP on GPUs
Dr. Christoph Angerer, Senior Developer Technology Engineer, Accelerated Computing, NVIDIA

The practice and performance evaluation of calculations using GPU version of VASP
A.A. Rybakov, A.V. Larin, I.A. Bryukhanov

Using VASP to simulate the interaction of thermal and hyperthermal F, N and O atoms with low-k dielectric surfaces
E.N. Voronina, Yu.A. Mankelevich, T.V. Rakhimova

Supercomputer  simulation  of nanocomposite materials with use of the VASP application package
D.A. Varlamov, V.M. Volokhov, T.S. Zyubina, A.S. Zyubin, G.A. Pokatovich, A.V. Volokhov

Part 2, Practical Session

Practical Tips for VASP on GPUs
Dr. Christoph Angerer, Senior Developer Technology Engineer, Accelerated Computing, NVIDIA

Questions, answers, discussion...