RASPA online school/workshop (2022)

Registration (free but compulsory) via: www.iraspa.org
Contact: raspaworkshop2022@gmail.com

This workshop/school focuses on a practical understanding of visualization and molecular simulation of
nanoporous materials and fluids, using iRASPA and RASPA. RASPA is well known for force field-based molecular
simulation of adsorption and diffusion in nanoporous materials (such as MOFs and zeolites), as well as studying
thermodynamic and transport properties of complex fluids. The combination with the visualization software
iRASPA enables obtaining direct molecular insight. In this 1-day workshop, besides lectures on the basics of
MD/MC, we will also consider the practical side of simulations using iRASPA/RASPA: setting up the system,
constructing input files for molecules and frameworks, setting up a force field, understanding input settings, and
analyzing the output. The workshop will be online.