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Details of Grant 

EPSRC Reference: EP/M011291/1
Title: CCP5 Flagship DL_MONTE: Monte Carlo Simulation of Condensed Phases
Principal Investigator: Wilding, Professor N
Other Investigators:
Parker, Professor SC Purton, Dr J
Researcher Co-Investigators:
Project Partners:
Department: Physics
Organisation: University of Bath
Scheme: Standard Research
Starts: 31 March 2015 Ends: 30 March 2018 Value (£): 725,606
EPSRC Research Topic Classifications:
Continuum Mechanics Software Engineering
EPSRC Industrial Sector Classifications:
Manufacturing R&D
Chemicals
Related Grants:
Panel History:
Panel DatePanel NameOutcome
11 Sep 2014 Software for the Future Call II Announced
Summary on Grant Application Form
Computer simulation is the "third way" in science, complementing the traditional disciplines of theory and experiment. It allow one to do experiments on a computer - a kind of virtual reality in which one can study everything from subatomic particles to galaxy formation. There are several approaches to computer simulation. An important one is Monte Carlo (MC) simulation. This uses computer generated random numbers to mimic the effects of thermal fluctuations encountered in liquid and solid materials such as are commonly studied in Chemistry, Physics and Chemical Enginnering. In recent years great effort has been dedicated to developing ever more sophisticated MC algorithms which allow one to study more and more complex materials and phenomena. However these algorithms are thermselves becoming so complex that they can't be easily implemented separately by individual research groups. Indeed to do so would be a wasteful reproduction of effort. There is thus a need for algorithmic experts to write software which can be easily shared with other researchers. This software will need to be carefully constructed, efficient, portable, well documented and well supported. The main aim of this proposal is to meet this need. It will involve a team of experts experienced in design, implementation and application of Monte Carlo algorithms constructing a general purpose suite of software which will be readily available to users in academia and industry, and supported by appropriate training.
Key Findings
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Potential use in non-academic contexts
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Summary
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Organisation Website: http://www.bath.ac.uk