April 01, 2023
The Training School "Advanced computational methods and high-performance computing for MultIChem simulations", organized within the framework of the COST Action CA20129 MultIChem, took place at Atomki, the Institute for Nuclear Research of the Hungarian Academy of Sciences (Debrecen, Hungary) during March 28-30, 2023.
The aim of the school was to train members of the MultIChem COST Action in state-of-the-art computational methods for multiscale simulations of Irradiation-Driven Chemistry processes involving (bio)molecular and nanoscale systems.
The hands-on tutorials were devoted to the exploration of physical models and computational approaches used for the simulations of Meso-Bio-Nano (MBN) systems and the investigation of their structure and dynamics at the atomic level of detail. In particular, the case studies of atomic & molecular clusters and nanoparticles; biomolecular systems; nanomaterials; composite materials and material interfaces; as well as dynamical, chemical, collision- and irradiation-driven multiscale phenomena were discussed.
The tutorials were based on practical exercises with the latest release of the advanced software packages MBN Explorer and MBN Studio.
Further information about the training school can be found on the dedicated webpage.