1.6k citations · 2.6k across the 23 of their papers we have counts for
24 papers
Composition/structure directed search for new chalcogenide compounds
Alon Hever, Ohad Levy, Stefano Curtarolo +1
This work presents a simple scheme for finding new crystalline compounds by adapting structure types from neighbor atoms compounds. The approach is demonstrated for the selenide an…
aflow++: a C++ framework for autonomous materials design
C. Oses, M. Esters, D. Hicks +17
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades,…
The AFLOW Library of Crystallographic Prototypes: Part 3
David Hicks, Michael J. Mehl, Marco Esters +5
The AFLOW Library of Crystallographic Prototypes has been extended to include a total of 1,100 common crystal structural prototypes (510 new ones with Part 3), comprising all of th…
AFLOW-XtalFinder: a reliable choice to identify crystalline prototypes
David Hicks, Cormac Toher, Denise C. Ford +5
The accelerated growth rate of repository entries in crystallographic databases makes it arduous to identify and classify their prototype structures. The open-source AFLOW-XtalFind…
The AFLOW Library of Crystallographic Prototypes: Part 2
David Hicks, Michael J. Mehl, Eric Gossett +5
Materials discovery via high-throughput methods relies on the availability of structural prototypes, which are generally decorated with varying combinations of elements to produce…
AFLOW-CHULL: Cloud-oriented platform for autonomous phase stability analysis
Corey Oses, Eric Gossett, David Hicks +10
prediction of phase stability of materials is a challenging practice, requiring knowledge of all energetically-competing structures at formation conditions. Lar…