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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.

Date: 
Wednesday, January 29, 2020 - 09:00 to Thursday, January 30, 2020 - 17:00

 

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