Monte Carlo simulation with DL_MONTE

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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.
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Programme and location
The workshop will be held in rooms 5.7 and 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 <A HREF="https://www.ccp5.ac.uk/DL_MONTE" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">DL_MONTE</A>. A provisional schedule is given below.
 
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DAY 1
09.30-10.00: Registration (Room 5.7)
10.00-10.20: Welcome and set up
10.20-11.00: Introduction to Monte Carlo, and DL_MONTE in simple ensembles (Tutorials 1-3)
 
11.00-11.20: Refreshments
11.20-12.30: DL_MONTE in simple ensembles (contd.)
12.30-13.30: Lunch
13.30-15.30: Grand canonical and Gibbs ensembe Monte Carlo (Tutorials 4, 5 &amp; 9)
15.30-15.50: Refreshments
15.50-16.30: Choice of tutorials to pursue; opportunity to discuss problems with DL_MONTE team 
16.30-17.00: Flash presentations
17.00-18.00: Drinks reception with pizza
 
DAY 2
09.00-10.15: Seminar by Prof. Nigel Wilding on recent applications of Monte Carlo
10.15-11.00: Free energy methods and WHAM analysis (Tutorial 6)
11.00-11.20: Refreshments
11.20-12.30: Python toolkit (dlmontepython) - histogram reweighting (Jupyter notebooks)
12.30-13.30: Lunch
13.15-15.30: Python toolkit - automation (Jupyter notebooks) 
15.30-15.50: Refreshments
15.50-16.50: Choice of tutorials to pursue; opportunity to discuss problems with DL_MONTE team
16.50-17.00: Closing remarks
 
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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.
 
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Travel and accommodation 
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Advice on how to travel to the University can be found on the <A CLASS="Hyperlink SCXW164325613 BCX0" HREF="https://www.bath.ac.uk/topics/travel-advice" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">University travel page</A>. A map of the University campus can be found <A CLASS="Hyperlink SCXW164325613 BCX0" HREF="https://www.bath.ac.uk/publications/university-of-bath-campus-map-south/attachments/map-sheet.pdf" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">here</A>. (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 <A CLASS="Hyperlink SCXW164325613 BCX0" HREF="https://www3.hilton.com/en/hotels/united-kingdom/hilton-bath-city-BATHNHN/index.html" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">Hilton </A><A CLASS="Hyperlink SCXW164325613 BCX0" HREF="https://www3.hilton.com/en/hotels/united-kingdom/hilton-bath-city-BATHNHN/index.html" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">Hotel and</A><A CLASS="Hyperlink SCXW164325613 BCX0" HREF="https://www3.hilton.com/en/hotels/united-kingdom/hilton-bath-city-BATHNHN/index.html" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer"> Premier Inn Bath</A>. Further options can be found on, for instance, the <A CLASS="Hyperlink SCXW164325613 BCX0" HREF="https://visitbath.co.uk/" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">Visit Bath</A> website. 
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Support 
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The symposium is supported by <A HREF="https://www.ccp5.ac.uk/" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">CCP5</A>: the Collaborative Computational Project for simulations of condensed phases, which is predominantly funded by <A HREF="https://epsrc.ukri.org/" TARGET="_blank" DATA-MSYS-CLICKTRACK="0" REL="nofollow noopener noreferrer">EPSRC</A>.
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Chancellors' Building

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Monte Carlo simulation with DL_MONTE

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