David Hicks

Most-cited papers

The AFLOW Library of Crystallographic Prototypes: Part 2
David Hicks, M. Mehl, Eric Gossett, C. Toher +4 more
2018Computational materials science186 citations Open access
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Roadmap on Machine learning in electronic structure
H. Kulik, T. Hammerschmidt, Jonathan Schmidt, S. Botti +43 more
2022Electronic Structure173 citations Open access
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The AFLOW Library of Crystallographic Prototypes: Part 1
M. Mehl, David Hicks, C. Toher, O. Levy +3 more
2017121 citations Open access
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Unavoidable disorder and entropy in multi-component systems
C. Toher, C. Oses, David Hicks, S. Curtarolo
2019npj Computational Materials112 citations Open access
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AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis
C. Oses, Eric Gossett, David Hicks, F. Rose +9 more
2018Journal of Chemical Information and Modeling94 citations Open access
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Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids
C. Toher, C. Oses, J. Plata, David Hicks +7 more
201672 citations Open access
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Settling the matter of the role of vibrations in the stability of high-entropy carbides
M. Esters, C. Oses, David Hicks, M. Mehl +6 more
2021Nature Communications66 citations Open access
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High-entropy ceramics: Propelling applications through disorder
C. Toher, C. Oses, M. Esters, David Hicks +5 more
2021MRS bulletin66 citations
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AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals.
David Hicks, C. Oses, Eric Gossett, Geena Gomez +5 more
2018Acta Crystallographica Section A: Foundations and Advances62 citations Open access
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Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery
Simon Divilov, Hagen Eckert, David Hicks, C. Oses +18 more
2024Nature59 citations Open access
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AFLOW-XtalFinder: a reliable choice to identify crystalline prototype
David Hicks, C. Toher, D. Ford, F. Rose +4 more
2020npj Computational Materials58 citations Open access
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aflow.org: A Web Ecosystem of Databases, Software and Tools
M. Esters, C. Oses, Simon Divilov, Hagen Eckert +9 more
2022Computational materials science57 citations Open access
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The AFLOW Library of Crystallographic Prototypes: Part 3
David Hicks, M. Mehl, M. Esters, C. Oses +4 more
2020Computational materials science49 citations Open access
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aflow++: A C++ framework for autonomous materials design
C. Oses, M. Esters, David Hicks, Simon Divilov +16 more
2022Computational materials science44 citations Open access
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The AFLOW library of crystallographic prototypes: Part 4
Hagen Eckert, Simon Divilov, M. Mehl, David Hicks +4 more
2024Computational materials science32 citations Open access
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Metallic glasses for biodegradable implants
D. Ford, David Hicks, C. Oses, C. Toher +1 more
2019Acta Materialia32 citations Open access
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The AFLOW Library of Crystallographic Prototypes
M. Mehl, David Hicks, C. Toher, O. Levy +3 more
201632 citations
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The AFLOW Fleet for Materials Discovery
C. Toher, C. Oses, David Hicks, Eric Gossett +47 more
2017Handbook of Materials Modeling31 citations Open access
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Parametrically constrained geometry relaxations for high-throughput materials science
M. Lenz, Thomas A. R. Purcell, David Hicks, S. Curtarolo +2 more
2019npj Computational Materials18 citations Open access
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Automated coordination corrected enthalpies with AFLOW-CCE
Rico Friedrich, M. Esters, C. Oses, S. Ki +5 more
202112 citations Open access
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AFLOW4: Heading Toward Disorder
Simon Divilov, Hagen Eckert, Scott D. Thiel, Sean D. Griesemer +9 more
2025High Entropy Alloys & Materials10 citations Open access
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Tin-pest problem as a test of density functionals using high-throughput calculations
M. Mehl, M. Ronquillo, David Hicks, M. Esters +6 more
2020PHYSICAL REVIEW MATERIALS10 citations Open access
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AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids
P. Nath, D. Usanmaz, David Hicks, C. Oses +4 more
2018PHYSICAL REVIEW MATERIALS10 citations Open access
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QH-POCC: Taming tiling entropy in thermal expansion calculations of disordered materials
M. Esters, A. Smolyanyuk, C. Oses, David Hicks +5 more
2022Acta Materialia7 citations Open access
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AFLOW-XTAL-MATCH: Automated method for quantifying the structural similarity of materials and identifying unique crystal prototypes
David Hicks, C. Toher, D. Ford, Carlo De Santo +3 more
20195 citations
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Soliquidy: a descriptor for atomic geometrical confusion
Hagen Eckert, Sebastian A. Kube, Simon Divilov, Asa Guest +9 more
2025npj Computational Materials3 citations Open access
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MATERIALS 3 , 073801 ( 2019 ) AFLOW-QHA 3 P : Robust and automated method to compute thermodynamic properties of solids
P. Nath, D. Usanmaz, David Hicks, C. Oses +4 more
20190 citations
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Constrained Geometry Relaxations in Materials Science
M. Lenz, Thomas A. R. Purcell, David Hicks, S. Curtarolo +2 more
20190 citations
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Integrative interactive visualization of crystal structure, band structure, and Brillouin zone
R. M. Hanson, Ben Hinke, Matthew Van Koevering, C. Oses +5 more
20170 citations
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Thermomechanical properties in the AFLOW distributed database
C. Toher, C. Oses, J. Plata, David Hicks +9 more
20170 citations
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AFLOWSYM: A robust procedure to perform the complete symmetry analysis of crystals
David Hicks, C. Oses, S. Curtarolo
20170 citations
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The New NRL Crystallographic Database
M. Mehl, S. Curtarolo, David Hicks, C. Toher +2 more
20160 citations
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High-Throughput Identification of Unique Structure Prototypes in the Inorganic Crystal Structure Database
David Hicks, C. Toher, O. Levy, S. Curtarolo
20160 citations
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