Molecular Modelling and High Performance Computing with Applications
June 7th-9th, John Anderson Building, room J.A. 7.30, University of Strathclyde
This three day course will cover the basic knowledge and skills required to:
- run molecular dynamics (MD) simulations using the GROMACS package
- visualise the results using VMD
- enable participants to run their own simulations
A more detail syllabus is availabe below.
The training will be delivered by Dr Carlos Ferrerio-Rangel (Knowledge Exchange Fellow, Chemical and process Engineering) and Dr Karina Kubiak – Ossowska (ARCHIE-WeSt support team) and is available to staff and postgraduate students from ARCHIE-WeSt partner institutions. The number of places are limited and priority will be given to users of ARCHIE-WeSt. Places for users of other facilities will be subject to availability. Students who will complete the training (by attending all 5 sessions and producing a report describing their own simulations) will obtain a certificate of attendance worth 5 credits.
Please complete the form below if you would like to attend.
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- Build your own MD simulations
- Potentials, molecules and in silico design of molecular systems and materials
- Introduction to afternoon training sessions with options available for sector-specific application exemplars and hands-on tasks
- Exploring the visualisation capabilities of VMD
- Post-processing with Gromacs and VMD; illustrating your research: making movies and generating reports
- Afternoon training sessions with options available for sector-specific applications and tasks
- Advanced simulation tools in Gromacs
- Designing numerical experiments, analysing and interpreting results
- Afternoon training sessions with choice of techniques and applications