Nanotech 2010

Materials discovery with ab initio high throughput calculations (keynote presentation)

G. Fitzgerald, G. Goldbeck-Wood, J.L. Gavartin, A. Perlov, M. Sarwar, S. French, S. Garçia, A. Martinez-Bonastre, D. Thompsett
Accelrys Ltd, UK

Keywords: high-throughput modeling, materials discovery, software platform, fuel cell, catalysis


A software framework for collaborative research using high throughput computing is presented, along with an application in the area of fuel cell catalyst discovery.
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