Dear Colleague,


It is a pleasure to announce the 2022 workshop/school on the (i)RASPA software for simulation and visualization of porous materials and fluids.


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.

See the flyer in the attachment.

Registration is free but compulsory via www.iraspa.org


Feel free to forward to colleagues/students who may be interested,


On behalf of the organizers,


David Dubbeldam

Randy Snurr

Juan JoseĢ Gutierrez Sevillano

Thijs J.H. Vlugt

Sofia Calero