Training School on Advanced computational methods and high-performance computing for MultIChem simulations
The 2nd Training School of the COST Action MultIChem will take place at Atomki, the Institute for Nuclear Research of the Hungarian Academy of Sciences (Debrecen, Hungary) during March 28-30, 2023. The Training School is aimed 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 will be 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 will be discussed. Relevant physical concepts, mathematical techniques and computational methods will be introduced, including force fields and algorithms used in molecular modeling, molecular dynamics (classical, reactive, irradiation-driven, relativistic) and stochastic dynamics simulations. The tutorials will be based on practical exercises with the advanced software packages MBN Explorer and MBN Studio. The tutorials will be performed with the latest release of MBN Explorer and MBN Studio.
The Training School is designed for graduate students, postdoctoral researchers and staff in computational physics, chemistry and biology, molecular physics, radiation physics and chemistry, materials science, nanoscience, and radiobiology, who seek to extend their research skills to include theoretical, computational and experimental expertise, as well as for all other researchers interested in state-of-the-art methods for studying radiation-driven physics and chemistry processes.