Posts tagged “software”

High-throughput simulation

November 7, 2013 . techniques .

DFT parameters software

Free energy differences

October 17, 2013 . techniques .
A novel approach to finding the free energy difference between two phases of a material
MD software

More on software testing

October 8, 2013 . Techniques .
More thoughts and links on testing of scientific software
software testing

Publishing data

September 20, 2013 . techniques .
Should computational scientists make their files publicly available ?
software testing

Software testing

May 29, 2013 . techniques .
Thoughts on how we should test large, complex scientific codes
parameters software testing