Publications (28)
High-Throughput Prediction of Finite-Temperature Properties using the Quasi-Harmonic Approximation
Pinku Nath, Jose J. Plata, Demet Usunmaz +5
A RESTful API for exchanging Materials Data in the AFLOWLIB.org consortium
Richard H. Taylor, Frisco Rose, Cormac Toher +3
The search for high entropy alloys: a high-throughput $\textit{ab-initio}$ approach
Yoav Lederer, Cormac Toher, Kenneth S. Vecchio +1
Predicting Superhard Materials via a Machine Learning Informed Evolutionary Structure Search
Patrick Avery, Xiaoyu Wang, Davide M. Proserpio +5
Predicting Bulk Metallic Glass Forming Ability with the Thermodynamic Density of Competing Crystalline States
Eric Perim, Dongwoo Lee, Yanhui Liu +8
The AFLOW Fleet for Materials Discovery
Cormac Toher, Corey Oses, David Hicks +48
The AFLOW Standard for High-Throughput Materials Science Calculations
Camilo E. Calderon, Jose J. Plata, Cormac Toher +8
AFLUX: The LUX materials search API for the AFLOW data repositories
Frisco Rose, Cormac Toher, Eric Gossett +4
Metallic glasses for biodegradable implants
Denise C. Ford, David Hicks, Corey Oses +2
AFLOW-SYM: Platform for the complete, automatic and self-consistent symmetry analysis of crystals
David Hicks, Corey Oses, Eric Gossett +6
Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases
Eric Perim, Dongwoo Lee, Yanhui Liu +8
Predicting the lattice thermal conductivity of solids by solving the Boltzmann transport equation: AFLOW - AAPL an automated, accurate and effcient framework
Jose J. Plata, Demet Usanmaz, Pinku Nath +7
Addressing the lattice stability puzzle in the computational determination of intermetallic phase diagrams
Shmuel Barzilai, Cormac Toher, Stefano Curtarolo +1
High-entropy high-hardness metal carbides discovered by entropy descriptors
Pranab Sarker, Tyler Harrington, Cormac Toher +6
AFLOW-ML: A RESTful API for machine-learning predictions of materials properties
Eric Gossett, Cormac Toher, Corey Oses +8
The AFLOW Library of Crystallographic Prototypes
Michael J. Mehl, David Hicks, Cormac Toher +4
Dynamical bi-stability of single-molecule junctions: A combined experimental/theoretical study of PTCDA on Ag(111)
Thomas Brumme, Olga Neucheva, Cormac Toher +8
Automated computation of materials properties
Cormac Toher, Corey Oses, Stefano Curtarolo
Autonomous data-driven design of inorganic materials with AFLOW
Corey Oses, Cormac Toher, Stefano Curtarolo
Spinodal superlattices of topological insulators
Demet Usanmaz, Pinku Nath, Cormac Toher +5
Unavoidable disorder and entropy in multi-component systems
Cormac Toher, Corey Oses, David Hicks +1
AFLOW-CHULL: Cloud-oriented platform for autonomous phase stability analysis
Corey Oses, Eric Gossett, David Hicks +10
Combining the AFLOW GIBBS and Elastic Libraries for efficiently and robustly screening thermo-mechanical properties of solids
Cormac Toher, Corey Oses, Jose J. Plata +8
AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids
Pinku Nath, Demet Usanmaz, David Hicks +5
Coordination corrected ab initio formation enthalpies
Rico Friedrich, Demet Usanmaz, Corey Oses +5
The AFLOW Library of Crystallographic Prototypes: Part 2
David Hicks, Michael J. Mehl, Eric Gossett +5
Universal Fragment Descriptors for Predicting Electronic Properties of Inorganic Crystals
Olexandr Isayev, Corey Oses, Cormac Toher +3
High-Throughput Computational Screening of thermal conductivity, Debye temperature and Grüneisen parameter using a quasi-harmonic Debye Model
Cormac Toher, Jose J. Plata, Ohad Levy +4