A. Walker

Integrating Data Management and Collaborative Sharing with Computational Science Research Processes

Kerstin Kleese van Dam, Andrew M. Walker, Mark James, 2012 .

The compressibility and high pressure structure of diopside from first principles simulation

Martin T. Dove, R. P. Bruin, R. P. Tyer, 2008 .

Job submission to grid computing environments

Jie Xu, I. Todorov, K. Austen, 2008 .

eScience for molecular-scale simulations and the eMinerals project

T O H White, R P Bruin, G-T Chiang, 2009, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language

Marcus D. Hanwell, Andrew M. Walker, Wibe A. de Jong, 2013, Journal of Cheminformatics.