Cormac Toher
Cormac Toher
Assistant Professor
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Cited by
Cited by
Charting the complete elastic properties of inorganic crystalline compounds
M De Jong, W Chen, T Angsten, A Jain, R Notestine, A Gamst, M Sluiter, ...
Scientific data 2 (1), 1-13, 2015
High-entropy ceramics
C Oses, C Toher, S Curtarolo
Nature Reviews Materials 5 (4), 295-309, 2020
Universal fragment descriptors for predicting properties of inorganic crystals
O Isayev, C Oses, C Toher, E Gossett, S Curtarolo, A Tropsha
Nature communications 8 (1), 1-12, 2017
High-entropy high-hardness metal carbides discovered by entropy descriptors
P Sarker, T Harrington, C Toher, C Oses, M Samiee, JP Maria, ...
Nature communications 9 (1), 1-10, 2018
Self-interaction errors in density-functional calculations of electronic transport
C Toher, A Filippetti, S Sanvito, K Burke
Physical Review Letters 95 (14), 146402, 2005
Phase stability and mechanical properties of novel high entropy transition metal carbides
TJ Harrington, J Gild, P Sarker, C Toher, CM Rost, OF Dippo, C McElfresh, ...
Acta Materialia 166, 271-280, 2019
High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model
C Toher, JJ Plata, O Levy, M De Jong, M Asta, MB Nardelli, S Curtarolo
Physical Review B 90 (17), 174107, 2014
The AFLOW standard for high-throughput materials science calculations
CE Calderon, JJ Plata, C Toher, C Oses, O Levy, M Fornari, A Natan, ...
Computational Materials Science 108, 233-238, 2015
A RESTful API for exchanging materials data in the AFLOWLIB. org consortium
RH Taylor, F Rose, C Toher, O Levy, K Yang, MB Nardelli, S Curtarolo
Computational materials science 93, 178-192, 2014
Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport
C Toher, S Sanvito
Physical review letters 99 (5), 056801, 2007
The AFLOW library of crystallographic prototypes: part 1
MJ Mehl, D Hicks, C Toher, O Levy, RM Hanson, G Hart, S Curtarolo
Computational Materials Science 136, S1-S828, 2017
Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions
C Toher, S Sanvito
Physical Review B 77 (15), 155402, 2008
The search for high entropy alloys: a high-throughput ab-initio approach
Y Lederer, C Toher, KS Vecchio, S Curtarolo
Acta Materialia 159, 364-383, 2018
On-the-fly closed-loop materials discovery via Bayesian active learning
AG Kusne, H Yu, C Wu, H Zhang, J Hattrick-Simpers, B DeCost, S Sarker, ...
Nature communications 11 (1), 1-11, 2020
Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases
E Perim, D Lee, Y Liu, C Toher, P Gong, Y Li, WN Simmons, O Levy, ...
Nature communications 7 (1), 1-9, 2016
Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations
Z Rak, CM Rost, M Lim, P Sarker, C Toher, S Curtarolo, JP Maria, ...
Journal of Applied Physics 120 (9), 095105, 2016
Discovery of high-entropy ceramics via machine learning
K Kaufmann, D Maryanovsky, WM Mellor, C Zhu, AS Rosengarten, ...
Npj Computational Materials 6 (1), 1-9, 2020
Machine learning for alloys
GLW Hart, T Mueller, C Toher, S Curtarolo
Nature Reviews Materials 6 (8), 730-755, 2021
Coverage-driven electronic decoupling of Fe-phthalocyanine from a Ag (111) substrate
TG Gopakumar, T Brumme, J Kroger, C Toher, G Cuniberti, R Berndt
The Journal of Physical Chemistry C 115 (24), 12173-12179, 2011
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
AR Supka, TE Lyons, L Liyanage, P D’Amico, RAR Al Orabi, S Mahatara, ...
Computational Materials Science 136, 76-84, 2017
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