International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation
Room: L3.204
Paderborn University, Warburger Str. 100, D-33098 Paderborn, Germany
This 3-day event focuses on multiscale atomistic simulations using CP2K and GROMACS on High-Performance Computing (HPC) cluster system.
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.
Repository: CP2K-GROMACS_Autumn_School
Video recordings: Youtube Playlist
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.
Venue
- For participation
Room: L3.204
Paderborn University
Warburger Str. 100
33098 Paderborn
Germany
Additional Information
- For the Hands-on Tutorials, please bring your own laptop (Windows, macOS, or Linux).
- This course is free of cost for members of German universities or publicly-funded research institutions. Please register the course using your university/institution e-mail address.
- If you need information about travel and accommodation, feel free to contact us. Please note that the relevant costs are your responsibility.
- The number of seats and poster presentation slots are limited and the allocations are managed by the organizers.
This event is organized by Paderborn Center for Parallel Computing (PC2) and Center for Advanced Systems Understanding (CASUS).
Note: This event is severely overbooked. Thus we have to close the registration. We appreciate and thank you for your interest! If you are interested in future courses/workshops/events at the Paderborn Center for Parallel Computing, please feel free to contact us.
