Computational science
Concept
A short history ofSHELX
2007 · George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography
VMD: Visual molecular dynamics
1996 · William Humphrey, Andrew Dalke, et al. · Journal of Molecular Graphics
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 · Steven J. Plimpton · Journal of Computational Physics