Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo (Online)


This workshop will give a broad overview of important fundamental concepts for molecular and materials modelling on HPC, with a focus on three of the most modern codes for electronic structure calculations (QUANTUM ESPRESSO, SIESTA and Yambo). Participants will put their new knowledge to the test on the Leonardo EuroHPC JU supercomputer (https://leonardo-supercomputer.cineca.eu/hpc-system/) with theory sections and practical demonstrations and hands-on exercises.


N-ways to GPU Programming Bootcamp

The N-Ways to GPU Programming Bootcamp covers the basics of how to use GPUs and provides an overview of different methods for porting scientific application to GPUs using NVIDIA® CUDA®, OpenACC, standard languages, OpenMP offloading, and/or CuPy and Numba.

4th Baltic HPC and Cloud Conference

Welcome to the 4th Baltic HPC and Cloud Conference! About The conference will feature a lot of topics, including talks on innovative uses of HPC and Cloud computing and presentations […]


VASP/EMTO Best Practices Workshop

ENCCS comes together with NAISS to organise the VASP/EMTO Best Practices Workshop. During the workshop we will showcase how to run the VASP (Vienna Ab-initio Simulation Package) and the EMTO […]

Multi-GPU Programming Bootcamp

Overview Welcome to the Multi-GPU programming bootcamp! Scaling applications to multiple GPUs across multiple nodes requires one to be adept at programming models and optimisation techniques, and proficient at performing […]

AI for Science Bootcamp


The AI for Science Bootcamp provides a step-by-step overview of the fundamentals of deep neural networks related to scientific computing and physical systems defined by differential equations.