G
Gus L. W. Hart
Researcher at Brigham Young University
Publications - 124
Citations - 8443
Gus L. W. Hart is an academic researcher from Brigham Young University. The author has contributed to research in topics: Cluster expansion & Band gap. The author has an hindex of 38, co-authored 115 publications receiving 6709 citations. Previous affiliations of Gus L. W. Hart include National Renewable Energy Laboratory & Duke University.
Papers
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Journal ArticleDOI
The high-throughput highway to computational materials design
Stefano Curtarolo,Gus L. W. Hart,Gus L. W. Hart,Marco Buongiorno Nardelli,Marco Buongiorno Nardelli,Marco Buongiorno Nardelli,Natalio Mingo,Stefano Sanvito,Stefano Sanvito,Ohad Levy +9 more
TL;DR: A current snapshot of high-throughput computational materials design is provided, and the challenges and opportunities that lie ahead are highlighted.
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AFLOW: An automatic framework for high-throughput materials discovery
Stefano Curtarolo,Wahyu Setyawan,Gus L. W. Hart,Michal Jahnátek,Roman V. Chepulskii,Richard H. Taylor,Shidong Wang,Junkai Xue,Kesong Yang,Ohad Levy +9 more
TL;DR: A flow as discussed by the authors is a software framework for high-throughput calculation of crystal structure properties of alloys, intermetallics and inorganic compounds, which is available for the scientific community on the website of the materials research consortium.
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AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
Stefano Curtarolo,Stefano Curtarolo,Wahyu Setyawan,Shidong Wang,Junkai Xue,Kesong Yang,Richard H. Taylor,Gus L. W. Hart,Stefano Sanvito,Marco Buongiorno Nardelli,Natalio Mingo,Ohad Levy +11 more
TL;DR: An extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW is presented, which currently contains over 150,000 thermodynamic entries for alloys.
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First-principles elastic constants and electronic structure of α − Pt 2 Si and PtSi
TL;DR: In this article, a first-principles study of the elastic properties and electronic structure for two room-temperature stable Pt silicide phases, tetragonal and orthorhombic PtSi, was carried out.
Journal ArticleDOI
Algorithm for Generating Derivative Structures
Gus L. W. Hart,Rodney W. Forcade +1 more
TL;DR: In this paper, the authors present an algorithm for generating all derivative superstructures for arbitrary parent structures and for any number of atom types in a geometrically independent way.