A scalable parallel Monte Carlo method for free energy simulations of molecular systems. - Malek O. Khan; Gareth Kennedy; Derek Y. C. Chan (J. Comput. Chem., 2005)

Electrochemical Parameter Optimization Using Scientific Workflows. - Colin Enticott; Thomas C. Peachey; David Abramson 001; Elena Mashkina; Chong-Yong Lee; Alan Bond; Gareth Kennedy; David Gavaghan; Darrell Elton (eScience, 2010)