1.3k citations · 1.4k across the 2 of their papers we have counts for
2 papers
physics.comp-ph2020★ 141 cited
Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code
R. J. Needs, M. D. Towler, N. D. Drummond +2
We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last dec…
cond-mat.mtrl-sci2011★ 1.3k cited
Ab initio Random Structure Searching
Chris J. Pickard, R. J. Needs
It is essential to know the arrangement of the atoms in a material in order to compute and understand its properties. Searching for stable structures of materials using first-princ…