Semantic Physical Science
Workshop and Symposium on Semantic Physical Science, Unilever Centre for Molecular Science Informatics, Cambridge UK (2012-01-10/12)
Symposium presentations available online (2012-01-26)
SYMPOSIUM PROGRAM (12 January 2012, 0930 - 1645)
0930 - 1000 - Coffee and Biscuits
1000 - 1010 - Overview of the SPS symposium
Peter Murray Rust, Department of Chemistry, University of Cambridge
Why we are supporting Semantic Science?
1010 - 1040
Bill Shelton - Pacific Northwest National Laboratory, Washington State, USA
1040 - 1110 - Adventures in Semantic Materials Informatics
Nico Adams, CSIRO, Melbourne, Australia
1110 - 1130 - Break
1130 - 1200 - Semantic Crystallographic Publishing
Brian McMahon - International Union of Crystallography (IUCr), Chester, UK
What are we doing in Semantic Science?
1200 - 1230 - Service oriented science: Why good code matters for science and why a fundamental change in thinking is required
Cameron Neylon - Science and Technology Faciities Council/Open Research Computation
1230 - 1300 - On the use of CML in computational materials research
Martin Dove - University of Cambridge/Queen Mary University London
Andrew Walker - University of Bristol
1300 - 1400 - Lunch
1400 - 1515 - Working Group Reports
1400 - 1430 - The CML roadmap and further engagement with users, developers and publishers
Marcus Hanwell - Kitware, USA
Group: Aileen Day, Clyde Davies, Martin Dove
1430 - 1445 - Semantification of NWChem and AMBER codes
Bert de Jong - PNNL
Group: Andrew Walker, Mark Williamson, Jon Tyzack
1445 - 1500 - Semantifying NMR
Nancy Washton - Pacific Northwest National Laboratory, Washington State, USA
Group: Cameron Neylon, Bill Shelton, Karl Mueller, Nico Adams
1500 - 1515 - Semantic Repositories
Group: Jorge Estrada, Erica Yang, Sam Adams
1515 - 1545 - Coffee Break
1545 - 1645 - Next steps in the practice and publication of semantic science
Publishers present: Nature, Royal Society of Chemistry (RSC), BioMedCentral, IUCr
1645 - Finish
We are running a hands-on workshop (January 10th/11th 2012) and symposium (January 12th 2012) on Semantic Physical Science, supported by EPSRC (“Pathways to Impact”). At these events, we will be investigating how semantic technologies (dictionaries, mark-up languages, ontologies, data-typing) can be applied to the capture, publication, preservation and re-use of data in the physical sciences (especially chemistry and materials science). We have invited 25 scientists (particularly from the fields of crystallography/solid state, analytical spectroscopy and computational chemistry; see list below) to a two-day workshop where we will review and create toolkits and protocols. We are delighted to see very great interest from national laboratories and national providers of services.
The results of the workshop and general talks on semantic principles will be presented at the full day symposium, which will be of particular interest to creators of chemical software, publishers, repository managers and funders who encourage data publication. The symposium is open to everyone without charge. The approximate program will be released shortly but some details will reflect the progress made in the preceding workshop. There will be significant time for discussion. If you wish to attend the symposium, please email email@example.com to register; places are limited to 50 – first come, first served!
Please distribute this flyer to anyone who you feel may be interested in these events.
There may be one or two places still available in the workshop – please email firstname.lastname@example.org for information.
Nico Adams (CSIRO), Simon Coles (University of Southampton), Clyde Davies (Microsoft), Bert de Jong (Pacific Northwest National Laboratory), Martin Dove (University of Cambridge/Queen Mary University of London), Jorge Estrada (Zaragoza Scientific Center for Advanced Modeling), Marcus Hanwell (Kitware), Marcus Kraft (University of Cambridge), Mahendra Mahey (JISC), Brian McMahon (IUCr), Karl Mueller (Pacific Northwest National Laboratory), Weerapong Phadungsukanan (University of Cambridge), Henry Rzepa (Imperial College), William Shelton (Pacific Northwest National Laboratory), Paul Sherwood (STFC Daresbury Laboratory), Michael Simmons (University of Cambridge), Christoph Steinbeck (EBI), Jens Thomas (STFC Daresbury Laboratory), Andrew Walker (University of Bristol), Alex Wade (Microsoft), Nancy Washton (Pacific Northwest National Laboratory ), Mark Williamson (University of Cambridge), Erica Yang (Science and Technology Facilities Council)