International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation
Location: Paderborn University, Germany
Organisers
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.
References
Thomas Kühne (Center for Advanced Systems Understanding (CASUS)) - Organiser & speaker
Robert Schade (Paderborn University) - Organiser
Xin Wu (Paderborn University) - Organiser