The training course on multiscale computational methods for complex molecular systems took place in Dhanbad, India, during 12-14 January 2025. It was organized and delivered by Professor Andrey Solov'yov. The training course followed the 24th National Conference on Atomic and Molecular Physics (NCAMP 2025), which took place at the Indian Institute of Technology (IIT ISM, Dhanbad).
The hands-on tutorial was centered on the practical use of the MBN Explorer and MBN Studio software packages. It was devoted to the exploration of physical models and computational multiscale modelling approaches used for the simulations of various molecular, nano- and complex systems, and the investigation of their structure and dynamics at the atomic level of detail. Relevant physical concepts, mathematical techniques and computational methods were introduced, including force fields and algorithms used in molecular modelling, molecular dynamics (classical, reactive, irradiation-driven, relativistic) and stochastic dynamics simulations.
The training course has attracted 35 registered participants, who have become familiar with the potential of advanced multiscale modelling methods for the study of radiation-induced chemical processes.