Artículos con órdenes de acceso público - Cormac ToherMás información
No disponibles en ningún lugar: 3
Is the antiresonance in meta-contacted benzene due to the destructive superposition of waves traveling two different routes around the benzene ring?
D Nozaki, C Toher
The Journal of Physical Chemistry C 121 (21), 11739-11746, 2017
Órdenes: German Research Foundation
Low-energy conformational gating in π-conjugated molecular junctions
D Nozaki, C Toher, G Cuniberti
The Journal of Physical Chemistry Letters 4 (23), 4192-4195, 2013
Órdenes: German Research Foundation, European Commission
Innovative molecular design for a volume oriented component diagnostic: Modified magnetic nanoparticles on high performance yarns for smart textiles
M Bartusch, M Hetti, D Pospiech, M Riedel, J Meyer, C Toher, V Neu, ...
Advanced Engineering Materials 16 (10), 1276-1283, 2014
Órdenes: German Research Foundation
Disponibles en algún lugar: 64
High-entropy ceramics
C Oses, C Toher, S Curtarolo
Nature Reviews Materials 5 (4), 295-309, 2020
Órdenes: US Department of Defense
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
Órdenes: US Department of Energy
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), 4980, 2018
Órdenes: US National Science Foundation, US Department of Defense
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), 15679, 2017
Órdenes: US National Science Foundation, US Department of Energy, US Department of …
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
Órdenes: US Department of Energy, US Department of Defense
Machine learning for alloys
GLW Hart, T Mueller, C Toher, S Curtarolo
Nature Reviews Materials 6 (8), 730-755, 2021
Órdenes: US National Science Foundation, US Department of Defense
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
Órdenes: US Department of Energy
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), 5966, 2020
Órdenes: US Department of Energy, US Department of Defense
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
Órdenes: US Department of Energy
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
Órdenes: US Department of Energy, US Department of Defense
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
Órdenes: US Department of Energy
Discovery of high-entropy ceramics via machine learning
K Kaufmann, D Maryanovsky, WM Mellor, C Zhu, AS Rosengarten, ...
Npj Computational Materials 6 (1), 42, 2020
Órdenes: US Department of Defense
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
Órdenes: US Department of Defense
Roadmap on machine learning in electronic structure
HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ...
Electronic Structure 4 (2), 023004, 2022
Órdenes: US Department of Energy, Natural Sciences and Engineering Research Council …
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), 2016
Órdenes: US National Science Foundation
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), 12315, 2016
Órdenes: US National Science Foundation
The AFLOW library of crystallographic prototypes: part 2
D Hicks, MJ Mehl, E Gossett, C Toher, O Levy, RM Hanson, G Hart, ...
Computational Materials Science 161, S1-S1011, 2019
Órdenes: US Department of Defense
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