Monte Carlo simulation with DL_MONTE
Event Information
Description
A two-day workshop on 'Monte Carlo simulation with DL_MONTE' will be held on 29th and 30th January at The Chancellors' Building, University of Bath.
Programme and location
The workshop will be held in room 5.13 of The Chancellors' Building, University of Bath. The workshop will include practical sessions and lectures, and topics to be covered include grand-canonical Monte Carlo, free energy methods, and how to use the general-purpose Monte Carlo simulation program DL_MONTE. A provisional schedule is given below.
DAY 1
9.30-10.00: Registration
10.00-10.10: Welcome
10.10-11.00: Introduction; obtaining and installing DL_MONTE
11.00-11.20: Refreshments
11.20-12.30: Input and output files and running DL_MONTE with simple ensembles
12.30-13.30: Lunch
13.30-15.30: Grand canonical Monte Carlo (GCMC)
15.30-15.50: Refreshments
15.50-Close: GCMC continued and Gibbs ensemble Monte Carlo.
DAY 2
9.00-11.00: Free energy methods and WHAM analysis
11.00-11.20: Refreshments
11.20-12.30: Python toolkit (dlmontepython)
12.30-13.30: Lunch
13.15-13.45: Flash presentations on user applications of DL_MONTE
13.45-15.30: Workflows with DL_MONTE.
15.30-15.50: Refreshments
15.50: Seminar by Prof. Nigel Wilding on the application of MC methods.
Registration
Participants must register in advance of the workshop. The workshop is free to attend, and lunch and refreshments will be provided. Note however that attendees are responsible for their own travel and accommodation.
Travel and accommodation
Advice on how to travel to the University can be found on the University travel page. A map of the University campus can be found here. (In this map The Chancellors' Building is in orange, at the top, centre of the map). Accommodation should be booked by participants directly. Well-known hotels in Bath include the Hilton Hotel and Premier Inn Bath. Further options can be found on, for instance, the Visit Bath website.
Support