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. 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. On the afternoon of Day 2 we will have a flash presentation session where users can briefly describe their research applications of DL_MONTE (we hope this will provide us with feedback for the development of DL_MONTE).
Location
The workshop will be held in room 5.13 of The Chancellors' Building, University of Bath.
Registration Participants must register in advance of the workshop at https://www.eventbrite.co.uk/e/monte-carlo-simulation-with-dl-monte-tickets-82228701259 .
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.
Program
A preliminary schedule is below.
DAY 1
9.30-10.0: Registration
10.00-10.10: Welcome
10.10-11.00: Introduction, Obtaining DL_MONTE and Installation
11.00-11.20: Refreshments
11.20-12.30: Input and Output Files and running DL_MONTE with simple ensembles
12.130-13.30: Lunch
13.30-15.30: Grand Canonical MC
15.30-15.50: Refreshments
15.50-Close: GCMC continued and Gibbs ensemble.
DAY 2
9.00-11.00: Free Energy methods and WHAM analysis
11.00-11.20: Refreshments
11.20-12.30: Python Toolkit (aka 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.
