Publications of M. J. Rayson
All genres
Journal Article (2)
1.
Journal Article
181, pp. 1051 - 1056 (2010)
Rapid filtration algorithm to construct a minimal basis on the fly from a primitive Gaussian basis. Computer Physics Communications 2.
Journal Article
80 (20), pp. 205104-1 - 205104-11 (2009)
Highly efficient method for Kohn-Sham density functional calculations of 500–10 000 atom systems. Physical Review B Talk (3)
3.
Talk
Progress in techniques for large-scale ab initio calculations. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
4.
Talk
Progress in techniques for large-scale ab initio calculations: A quantum of speed-up. AIMPRO 2008, Institute of Materials Jean Rouxel, Nantes, France. (2008)
5.
Talk
Progress in techniques for large-scale ab initio calculations. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)