<aside> 🚨 Using software without the proper license for research-related activities is strictly forbidden! If you need something, just ask!
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A commercial modeling and simulation software designed for materials science and chemistry with an outstanding graphic user interface
You can install this software on your own laptop (Windows ONLY). See:
If you are using Mac OS, the software is available to you on our group GPU machine.
Tutorials for MS 2024 can be found inside the software → help manual.
If you have any technical questions about using MS, you can post your question to the MS user community HERE (it’s free) or you can submit a support ticket and their support team may help. Here’s the support info:
A computer program for atomic scale materials modeling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles
<aside> 💡 If you have any questions or need access to these licensed resources, please contact [email protected].
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A popular Monte Carlo simulation package designed for simulating gas adsorption and transport in porous materials. This is a CPU version of the software. It is available on GPU Workstation and can be installed on CCR as well.
Install RASPA2 on CCR using EasyBuild
Compile RASPA2 on CCR (General Method)