Past Events

Simulations for the Experimentalist and the Industrialist
From Tuesday 06 November 2018
To Wednesday 07 November 2018

Simulations for the Experimentalist and the Industrialist

Diamond Light Source

6-7 November 2018


This new introductory modelling meeting is targeted both at industry and academia. 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 (i) ab initio methods for small molecules and periodic systems, (ii) modern Monte Carlo codes and methods, (iii) modern molecular dynamics simulations and long-timescale techniques, (iv) 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.

The course will include both taught (training) modules and sessions to promote discussion between experimentalists and simulation experts. One of the most challenging aspect of modern simulation is the translation of an experimental problem into one that can be tacked by simulation and modelling. Thus, each participant will be given the option/ encouraged to present on their work for 5 minutes followed by 5 minutes of open floor discussion on how simulation can help or to bring a related poster. We anticipate this will, for example, promote more effective cross-disciplinary working with experimentalists at the large facilities such as ISIS or DIAMOND.        

Further information and registration details can be found in the following link: