| EPSRC Reference: |
EP/M020096/1 |
| Title: |
Sharing best practice in computational chemistry software development - a transatlantic alliance |
| Principal Investigator: |
Laughton, Professor C |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Sch of Pharmacy |
| Organisation: |
University of Nottingham |
| Scheme: |
Overseas Travel Grants (OTGS) |
| Starts: |
01 December 2014 |
Ends: |
30 November 2015 |
Value (£): |
19,680
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| EPSRC Research Topic Classifications: |
| High Performance Computing |
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| EPSRC Industrial Sector Classifications: |
| No relevance to Underpinning Sectors |
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| Panel History: |
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Summary on Grant Application Form |
It remains a thorny question as to how we, in the UK, can best support the development of internationally competitive software in the chemical sciences, and the people who work in this area. In the US, a group of leading computational scientists and software engineers (Vijay Pande, Teresa Head-Gordon, Cecilia Clementi, and Shantenu Jha), have been charged, as part of an NSF-S2I2 program, to run a series of workshops for the conceptualization of a new Software Institute, focused on molecular simulations in chemistry, biochemistry, and materials.
The organisers would like to take this opportunity to engage with UK-based researchers in the same communities, and develop a transatlantic network to develop and promote best practice in this area. Though the UK situation is distinct, and our priorities and methods of support and development may be different, it is important that we remain well informed and very visible in an international context.
This travel grant will enable representatives of EPSRC funded activities most closely involved with this issue (leaders of Collaborative Computational Projects, of UK-US collaborative software development activities, and of relevant Centres for Doctoral Training) to meet with US research leaders around a series of workshops that are being run to develop the case for setting up (in the US) a specialised Software Institute.
As a result of these activities we will have clear, up-to-date information on developing trends in this area, good links to key opinion formers in the US, and a large amount of quantitative and qualitative data on which well-founded decisions can be made as to how Software Development can best be supported in the UK.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.nottingham.ac.uk |