1.6k citations · 5k across the 41 of their papers we have counts for
42 papers
The AFLOW Library of Crystallographic Prototypes: Part 5
Nicholas H. Anderson, Michael J. Mehl, Hagen Eckert +3
The AFLOW library of crystallographic prototypes has been updated to incorporate an additional 344 entries, which now reaches 2,127 prototypes. ICSD and CCDC numbers have been adde…
AFLOW4: heading toward disorder
Simon Divilov, Hagen Eckert, Scott D. Thiel +10
AFLOW4 is the latest iteration of the AFLOW toolkit, specifically tailored to study high-entropy disordered materials. This upgrade includes innovative features like the Soliquidy…
The AFLOW Library of Crystallographic Prototypes: Part 4
Hagen Eckert, Simon Divilov, Michael J. Mehl +5
The AFLOW Library of Crystallographic Prototypes has been updated to include an additional 683 entries, which now reaches 1,783 prototypes. We have also made some changes to the pr…
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,…
aflow.org: A Web Ecosystem of Databases, Software and Tools
Marco Esters, Corey Oses, Simon Divilov +10
To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools…
Automated coordination corrected enthalpies with AFLOW-CCE
R. Friedrich, M. Esters, C. Oses +6
The computational design of materials with ionic bonds poses a critical challenge to thermodynamic modeling since density functional theory yields inaccurate predictions of their f…