8 citations · 8 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2015
Computational searches for iron oxides at high pressures
Gihan L. Weerasinghe, R. J. Needs, Chris J. Pickard
We have used density-functional-theory methods and the ab initio random structure searching (AIRSS) approach to predict stable structures and stoichiometries of mixtures of iron an…
physics.comp-ph2013★ 8 cited
Compression algorithm for multi-determinant wave functions
Gihan L. Weerasinghe, Pablo Lopez Rios, Richard J. Needs
A compression algorithm is introduced for multi-determinant wave functions which can greatly reduce the number of determinants that need to be evaluated in quantum Monte Carlo calc…