Molecular Modeling for Industrial Applications CPD

Training in Molecular Modelling and High Performance Computing

for Industrial Applications

Continuing Professional Development (CPD) Course

Department of Chemical and Process Engineering and the Department of Physics

University of Strathclyde, Glasgow, Scotland

6th – 10th June 2016

Course leaders: Prof. Maxim Fedorov and Dr Paul Mulheran, Directors of the West of Scotland Academia-Industry HPC Centre ARCHIE-WeSt


The application of molecular modelling and simulation techniques to complex systems has been growing in the last decade due to advances in software and parallel computing. This unique industrial training course will use tailored exemplars to help you start your own modelling project in the areas of Oil & Gas, Pharmaceutical, Colloids & Interfaces, or Food & Drink industries. You will be provided with model solutions of real world problems closely assisted by leading experts in their field from the University of Strathclyde, an industry-oriented internationally leading technological university, with partners including AstraZeneca, GlaxoSmithKline, Macphie, Rolls-Royce, Schlumberger, EDF, and Weir Group (among others).

The University of Strathclyde has:

  • the No 1 Physics Department in the UK and is the No 1 Scottish University (No 3 in the UK) on Knowledge Transfer Partnership (KTP) performance (more than  £40 million of KTP grants) through the West-of-Scotland KTP centre
  • invested £89M  on a Technology Innovation Centre (TIC),  focused on energy, future cities, health, and manufacturing
  • the ARCHIE-WeST supercomputer, which supports 98 PhD students and has 37 industry related projects with 35 Industrial partners
  • premium location in the heart of Glasgow, named by National Geographic as one of the ‘Best of the World‘ destinations in 2016, and one of Europe’s more vibrant cities.


At the end of this course, you will be able to:

  • apply HPC and related modelling tools in your discipline
  • develop and execute HPC simulations and analyse results 
  • undertake further modelling work within your own projects

Morning sessions will provide the basic knowledge and understanding required for hands-on exercises that will take place in the afternoons. Organised by Prof Maxim Fedorov and Dr Paul Mulheran, the course builds on Strathclyde expertise in computer simulation led by Prof Dimitris Drikakis, Dr Paul Grassia, Dr Karen Johnston, Dr Miguel Jorge, Dr Leo Lue, Dr Demosthenes Kivotides, among others.


Course Schedule 

  • Day 1: general introduction to HPC, Linux and open source simulation tools
  • Days 2-4*: discovering the capabilities of simulation, visualisation and analysis tools using sets of practical examples in Oil & Gas, Pharmaceutics, and Colloids & Interface areas
  • Day 5: a one day workshop with
    • presentations from University/Industrial experts and
    • break-out sessions focussed on attendees’ needs for their own projects.

* tutorials supplemented by hands-on demonstration sessions geared towards sector-specific applications such as asphaltene aggregation, drug solubility, protein adsorption at interfaces.

For more information please email us at

Pricing* (Book online at the University of Strathclyde Online Shop)

Early Registration After 30th April 2016
 Full Week £1900 exc. VAT £2000 exc. VAT
Subset of 4 days** £1650 exc. VAT £1750 exc. VAT
Day 5 (workshop) £600 exc. VAT £650 exc. VAT

There is an additional 5 % discount for second and subsequent delegates from the same organisation and 10 % for students 

Book online at the University of Strathclyde online shop.

* Excluding VAT: UK standard rate 20 %, EU rates between 17 and 25 % depending on country of origin, for other countries please refer to the online shop
** Starting on Tuesday the 7th of June