It is a pleasure to announce the 2022 workshop/school on the (i)RASPA
software for simulation and visualization of porous materials and
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,
Juan José Gutierrez Sevillano
Thijs J.H. Vlugt