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Subject:
Emisor:
Sofia Calero Diaz <[log in para visualizar]>
Reply To:
Sofia Calero Diaz <[log in para visualizar]>
Fecha:
Wed, 30 Sep 2020 08:38:24 +0200
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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 [1] 

 

Links:
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[1]
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