Lectures¶
Programming Courses¶
- Introduction to Modern Fortran (6 lectures, 4 practical sessions)
- Introduction to Python
Basic Courses¶
- An Overview of Molecular Simulation
- Statistical Mechanics (2 lectures)
- Molecular Dynamics (3 lectures)
- Monte Carlo Methods (3 lectures)
- Free Energy Methods (3 lectures)
- Optimisation Methods
- Introduction to Force Fields
- Long timescale methods
- Advanced Free Energy methods
- Practicals (10 sessions over 5 afternoons)
Advanced Courses¶
- First principles simulation (6 lectures&hands-on tutorials)
- Mesoscale Methods (5 lectures)
- Simulation of Organic and Bio Molecules (6 lectures)
- Machine Learning for Interatomic Potentials (5 lectures)
Lecturers¶
- Prof Mike Allen (University of Bristol)
- Prof John Harding (University of Sheffield)
- Prof Neil Allan (University of Bristol)
- Prof Jamshed Anwar (University of Lancaster)
- Prof Paola Carbone (University of Manchester)
- Dr Livia Bartók-Pártay - (University of Warwick)
- Dr Colin Freeman (University of Sheffield)
- Dr Leo Lue(University of Strathclyde)
- Dr Alin Elena (Daresbury Laboratory)
First principles simulations¶
- Prof Matt Probert (University of York)
- Dr Laura Ratcliff (University of Bristol)
- Dr Barry Searle (Daresbury Laboratory)
Mesoscale methods¶
- Dr Michael Seaton (Daresbury Laboratory)
- Dr Xu Xu(University of Sheffield)
Simulation of organic and biomolecules¶
- Dr Antonia Mey (University of Edinburgh)
- Dr Matteo Degiacomi(Durham University)
Machine Learning and Interatomic Potentials¶
- Dr Ioan Bogdan Magdău (University of Cambridge transitioning to Newcastle University)
- Dr Alin Elena (Daresbury Laboratory)
Programming¶
- Dr Leo Lue(University of Strathclyde)
- Dr Alin Elena (Daresbury Laboratory)