This 3-day event focuses on multiscale atomistic simulations using CP2K and GROMACS on High-Performance Computing (HPC) cluster system.

To apply: https://events.uni-paderborn.de/e/CP2K-GROMACS

The topics covered are fundamental concepts and advanced techniques in classical molecular dynamics (MD), ab initio molecular dynamics (AIMD), and hybrid QM/MM methods for modeling biomolecular systems, complex materials, and chemical reactions.

Highlights

• Expert-led Lectures on GROMACS (classical MD), CP2K (post-DFT, QM/MM) and MiMiC (multiscale MD).
• Hands-on Tutorials for multiscale atomistic simulations on cutting-edge HPC systems at Paderborn Center for Parallel Computing.
• Best Practices for performance optimization, parallelization and GPU-accelerated computations.
• Poster Session to present your recent research and network with leading scientists in the fields.

Target Audience

This event is tailored for students, researchers, and computational scientists to enhance practical skills for multiscale atomistic simulations on HPC clusters, discuss the latest advancements, and foster collaborations.