Software and HPC
9 upcoming events
14th OpenMolcas Developers' Workshop
A workshop for developers and users of the OpenMolcas quantum chemistry software to discuss new methodologies, technical developments, and future perspectives.
Studying dynamics in soft matter and porous materials
CECAM Flagship School on dynamics in soft matter and porous materials, covering polymer dynamics, lattice Boltzmann, coarse-graining, and machine learning, with hands-on sessions using ESPResSo and waLBerla.
250th ECS Meeting
The 250th ECS Meeting, a historic milestone gathering in Calgary, Canada, uniting researchers and leaders to exchange ideas in electrochemical and solid state science, clean energy, and sustainable technology.
Vienna Ab-initio Simulation Package 2026
International online meeting on the Vienna Ab‑initio Simulation Package (VASP) 2026, featuring expert talks on electronic‑structure methods, DFT, and high‑performance computing, scheduled for 4‑5 November 2026, organized by the HPC Chair at University of Évora and EuroCC3.
RNA modifications at the Crossroads of simulations, chemistry and biology
Workshop on RNA modifications using computational methods, chemistry, and biology. Topics include molecular simulations, bioinformatics, and drug design for RNA-modifying enzymes.
Japan Society for Computer Chemistry 2026 Autumn Meeting
The 2026 Autumn Meeting of the Japan Society for Computer Chemistry, co-hosted by the Japan Society for Molecular Science, will take place in Numazu, Shizuoka, from November 27 to 28, 2026. It is a key event for sharing research in computational chemistry.
Automating atomistic machine learning
Machine-learned interatomic potentials still lean on hand-tuning and personal experience. This workshop looks at the automated workflows, provenance and reproducible benchmarking needed to make them a routine tool.
All electron DFT with Fleur - a Hands-on Tutorial
A week of hands-on training on FLEUR, an all-electron full-potential LAPW code, with its developers present. Run at Forschungszentrum Jülich and streamed online at the same time.
Fracture of Amorphous Materials Across the Scales
Multidisciplinary workshop on fracture of amorphous materials across scales, focusing on communication, collaborative modeling, and FAIR data sharing.