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Monte Carlo simulation with DL_MONTE

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Location

Chancellors' Building

University of Bath

Bath

BA2 7AY

United Kingdom

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Event description

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

The symposium is supported by CCP5: the Collaborative Computational Project for simulations of condensed phases, which is predominantly funded by EPSRC.

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Date and Time

Location

Chancellors' Building

University of Bath

Bath

BA2 7AY

United Kingdom

View Map

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