Simulations for the Experimentalist and the Industrialist

Nov 06. till Nov 07.

Simulations for the Experimentalist and the Industrialist

An introductory modelling meeting targeted both at industry and academia.

06/11/20182018-11-06 - 07/11/20182018-11-07
Diamond Light Source
Full course website
The objectives of the course are to demonstrate software used by the CCP5 and CCPBioSim communities, emphasising how to proceed further in what can be a bewildering field to the non-specialist.
The course will include overview lectures and some introductory practical sessions on the scope and application of modern simulation methods covering:
  • ab initio methods for small molecules and periodic systems
  • modern Monte Carlo codes and methods
  • modern molecular dynamics simulations and long-timescale techniques
  • modern mesoscopic methods (DPD, Lattice -Boltzmann).  

Most of the course will centre on the use of DL software (e.g. DL_MONTE, DL_POLY, DL_MESO) largely developed through CCP5.  Case studies will be discussed, tailored as far as possible to meet the needs of the audience. 

Further information and registration details can be found here.