18 citations · 25 across the 2 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 18 cited
Bridging molecular dynamics and correlated wave-function methods for accurate finite-temperature properties
Dario Rocca, Anant Dixit, Michael Badawi +3
We introduce the "selPT" perturbative approach, based on ab initio molecular dynamics (AIMD), for computing accurate finite-temperature properties by efficiently using correlated w…
cond-mat.mtrl-sci2016★ 7 cited
Competing Structures in (In,Ga)Se and (In,Ga)2Se3 Semiconductors
J. Srour, A. Postnikov, M. Badawi +1
The electronic structure of four polytypes (beta, gamma, delta and epsilon) of hexagonal GaSe and InSe is calculated from first principles, using the WIEN2k and VASP codes and PBEs…