Computational Chemistry Specialist

DR. GIUSEPPE MALLIA

The Computational Chemistry Support Specialist provides:

 Computational Support

• Advice on access to suitable hardware and software

 User Support

• Help members of the Chemistry Department with scientific programming, parallelisation of codes, and providing written documentation where appropriate

 Internal Liaison

• Advice on best use of internal Imperial computational services (e.g.www.hpc.ic.ac.uk) and a point of contact with simulation centres (e.g. Thomas Young Centre http://www.thomasyoungcentre.org)

 External Liaison

• Advice on access to and documentation for High Performance Computing facilities (i.e.www.archer.ac.uk), and related activities (e.g. HPC Consortia, CCPs, dCSE, ...)

 Teaching

• Advice on software and hardware for computational science workshops (e.g.  MSSC 2019) and tutorials