Dear colleague,

We are organizing an online (i)RASPA school workshop in Jan. 11, 2021 with title Software for visualization and simulation of porous materials and fluids. Registration (free but compulsory) and additional information via: www.iraspa.org

The 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 ½ 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.


Feel free to forward to people that may be interested.


Best wishes,

Prof. Sofía Calero
Chair Materials Simulation & Modelling 
Department of Applied Physics 
Eindhoven University of Technology 
5600MB Eindhoven, The Netherlands

www.tue.nl/msm