4 months ago

Peter Murray-Rust commented on FoX CML and atomistic simulation, Andrew Walker, Bristol UK by Peter Murray-Rust

TABLE OF CONTENTS (times are clickable) 0:00 Intro and data management 1:00 traditional example, glue code 2:00 Code in FORTRAN, require XML. Only tool C compiler 3:00 options 3:30 FORTRAN-XML is most attrictive choice 3:50 Homage to Toby White and Alber

4 months ago

chris leonard liked Semantic Crystallography, Brian McMahon at Semantic Physical Science, 2012-01-12, Cambridge by Peter Murray-Rust

4 months ago

Peter Murray-Rust commented on CML in computational materials science, Martin Dove by Peter Murray-Rust

TABLE OF CONTENTS (times are clickable) 1:10 Scientific Example materials that shrink when heated 1:40 plotted simulated volume against temperature 2:30 no reason not to plot lots of points 2:50 workflow 3:20 can launch hundreds of jobs 3:40 hard bit is

4 months ago

Peter Murray-Rust uploaded Semantic Physical Science, Bill Shelton PNNL

4 months ago

Peter Murray-Rust commented on Semantic Crystallography, Brian McMahon at Semantic Physical Science, 2012-01-12, Cambridge by Peter Murray-Rust

Fuller discussion in blog post: http://blogs.ch.cam.ac.uk/pmr/2012/01/23/brian-mcmahon-publishing-semantic-crystallography-every-science-data-publisher-should-watch-this-all-the-way-through/