Entropy for Energy Laboratory

Publications

Citation counts and the complete list are on Google Scholar. Each entry below has a BibTeX record, or download all of them as one file. † contributed equally, * corresponding author.

Journal articles

2026

Graphical abstract for Stabilizing Iodine in Pyrochlore: Toward New Nuclear Waste Forms
49
Stabilizing Iodine in Pyrochlore: Toward New Nuclear Waste Forms
X. Xu, G. Han, T. Li, J. Hu, G. Qiu, S.-Y. Tseng, G. H. Han, A. Dupuy, A. S. Hall, and C. Oses*
Precision Chemistry 4(8), 1211–1224 (2026)
DOI:10.1021/prechem.5c00467 PDF
BibTeX 
@article{xu2026stabilizing,
  author  = {Xu, Xiao and Han, Guangshuai and Li, Tianhao and Hu, Jiayue and Qiu, Guotao and Tseng, Shao-Yu and Han, Gyeong~H. and Dupuy, Alexander and Hall, A.~Shoji and Oses, Corey},
  title   = {Stabilizing Iodine in Pyrochlore: Toward New Nuclear Waste Forms},
  journal = {Precision Chemistry},
  volume  = {4},
  number  = {8},
  pages   = {1211--1224},
  year    = {2026},
  doi     = {10.1021/prechem.5c00467}
}

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2025

Graphical abstract for The search for high-entropy fuel-cell catalysts using disorder descriptors
48
The search for high-entropy fuel-cell catalysts using disorder descriptors
G. Han†, T. Li†, X. Xu, J. Lee, S. Sequeira, A. Ajith, and C. Oses*
Nano Futures 9, 045001 (2025)
DOI:10.1088/2399-1984/ae19b0 PDF
BibTeX 
@article{han2025search,
  author  = {Han, Guangshuai and Li, Tianhao and Xu, Xiao and Lee, Jaehyung and Sequeira, Sabrina and Ajith, Akshaya and Oses, Corey},
  title   = {The search for high-entropy fuel-cell catalysts using disorder descriptors},
  journal = {Nano Futures},
  volume  = {9},
  pages   = {045001},
  year    = {2025},
  doi     = {10.1088/2399-1984/ae19b0}
}

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Graphical abstract for Beyond the four core effects: revisiting thermoelectrics with a high-entropy design
47
Beyond the four core effects: revisiting thermoelectrics with a high-entropy design
C. Oses*, T. Li, X. Xu, G. Han, G. Qiu, and J. R. Owens
Materials Horizons 12(16), 5946–5956 (2025)
2025 Most Popular Articles, Royal Society of Chemistry: Materials Horizons (2026)
DOI:10.1039/D5MH00356C PDF
BibTeX 
@article{oses2025four,
  author  = {Oses, Corey and Li, Tianhao and Xu, Xiao and Han, Guangshuai and Qiu, Guotao and Owens, Jonathan~R.},
  title   = {Beyond the four core effects: revisiting thermoelectrics with a high-entropy design},
  journal = {Materials Horizons},
  volume  = {12},
  number  = {16},
  pages   = {5946--5956},
  year    = {2025},
  doi     = {10.1039/D5MH00356C}
}

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Graphical abstract for High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
46
High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
G. Qiu, T. Li, X. Xu, Y. Liu, M. Niyogi, K. Cariaga, and C. Oses*
npj Computational Materials 11, 145 (2025)
DOI:10.1038/s41524-025-01594-6 PDF
BibTeX 
@article{qiu2025high,
  author  = {Qiu, Guotao and Li, Tianhao and Xu, Xiao and Liu, Yuxiang and Niyogi, Maya and Cariaga, Katie and Oses, Corey},
  title   = {High entropy powering green energy: hydrogen, batteries, electronics, and catalysis},
  journal = {npj Computational Materials},
  volume  = {11},
  pages   = {145},
  year    = {2025},
  doi     = {10.1038/s41524-025-01594-6}
}

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2024

Graphical abstract for Atomic Ordering-Induced Ensemble Variation in Alloys Governs Electrocatalyst On/Off States
45
Atomic Ordering-Induced Ensemble Variation in Alloys Governs Electrocatalyst On/Off States
T. Gong, G. Qiu, M.-R. He, O. V. Safonova, W.-C. Yang, D. Raciti, C. Oses, and A. S. Hall
Journal of the American Chemical Society 147(1), 510–518 (2024)
DOI:10.1021/jacs.4c11753
BibTeX 
@article{gong2024atomic,
  author  = {Gong, Tianyao and Qiu, Guotao and He, Mo-Rigen and Safonova, Olga~V. and Yang, Wei-Chang and Raciti, David and Oses, Corey and Hall, A.~Shoji},
  title   = {Atomic Ordering-Induced Ensemble Variation in Alloys Governs Electrocatalyst On/Off States},
  journal = {Journal of the American Chemical Society},
  volume  = {147},
  number  = {1},
  pages   = {510--518},
  year    = {2024},
  doi     = {10.1021/jacs.4c11753}
}

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Graphical abstract for Fermi energy engineering of enhanced plasticity in high-entropy carbides
44
Fermi energy engineering of enhanced plasticity in high-entropy carbides
K. S. Vecchio, S. Curtarolo, K. Kaufmann, T. J. Harrington, C. Oses, and C. Toher
Acta Materialia 276, 120117 (2024)
DOI:10.1016/j.actamat.2024.120117 PDF
BibTeX 
@article{vecchio2024fermi,
  author  = {Vecchio, Kenneth~S. and Curtarolo, Stefano and Kaufmann, Kevin and Harrington, Tyler~J. and Oses, Corey and Toher, Cormac},
  title   = {Fermi energy engineering of enhanced plasticity in high-entropy carbides},
  journal = {Acta Materialia},
  volume  = {276},
  pages   = {120117},
  year    = {2024},
  doi     = {10.1016/j.actamat.2024.120117}
}

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Graphical abstract for Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
43
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
M. L. Evans, J. Bergsma, A. Merkys, C. W. Andersen, O. B. Andersson, D. Beltrán, E. Blokhin, T. M. Boland, R. Castañeda Balderas, K. Choudhary, A. Díaz Díaz, R. Domínguez García, H. Eckert, K. Eimre, M. E. Fuentes-Montero, A. M. Krajewski, J. J. Mortensen, J. M. Nápoles-Duarte, J. Pietryga, J. Qi, F. d. J. Trejo Carrillo, A. Vaitkus, J. Yu, A. C. Zettel, P. Baptista de Castro, J. Carlsson, T. F. T. Cerqueira, S. Divilov, H. Hajiyani, F. Hanke, K. Jose, C. Oses, J. Riebesell, J. Schmidt, D. Winston, C. Xie, X. Yang, S. Bonella, S. Botti, S. Curtarolo, C. Draxl, L. E. Fuentes Cobas, A. Hospital, Z.-K. Liu, M. A. L. Marques, N. Marzari, A. J. Morris, S. P. Ong, M. Orozco, K. A. Persson, K. S. Thygesen, C. Wolverton, M. Scheidgen, C. Toher, G. J. Conduit, G. Pizzi, S. Gražulis, G.-M. Rignanese, and R. Armiento
Digital Discovery 3, 1509–1533 (2024)
DOI:10.1039/D4DD00039K PDF
BibTeX 
@article{evans2024developments,
  author  = {Evans, Matthew~L. and Bergsma, Johan and Merkys, Andrius and Andersen, Casper~W. and Andersson, Oskar~B. and Beltr{\'{a}}n, Daniel and Blokhin, Evgeny and Boland, Tara~M. and {Casta\~{n}eda Balderas}, Rub{\'{e}}n and Choudhary, Kamal and {D{\'{i}}az D{\'{i}}az}, Alberto and {Dom{\'{i}}nguez Garc{\'{i}}a}, Rodrigo and Eckert, Hagen and Eimre, Kristjan and Fuentes-Montero, Maria~Elena and Krajewski, Adam~M. and Mortensen, Jens~J{\o}rgen and N{\'{a}}poles-Duarte, Jos{\'{e}}~Manuel and Pietryga, Jacob and Qi, Ji and {Trejo Carrillo}, Felipe~de~Jes{\'{u}}s and Vaitkus, Antanas and Yu, Jusong and Zettel, Adam~C. and {Baptista de Castro}, Pedro and Carlsson, Johan and Cerqueira, Tiago~F.~T. and Divilov, Simon and Hajiyani, Hamidreza and Hanke, Felix and Jose, Kevin and Oses, Corey and Riebesell, Janosh and Schmidt, Jonathan and Winston, Donald and Xie, Christen and Yang, Xiaoyu and Bonella, Sara and Botti, Silvana and Curtarolo, Stefano and Draxl, Claudia and {Fuentes Cobas}, Luis~Edmundo and Hospital, Adam and Liu, Zi-Kui and Marques, Miguel~A.~L. and Marzari, Nicola and Morris, Andrew~J. and Ong, Shyue~Ping and Orozco, Modesto and Persson, Kristin~A. and Thygesen, Kristian~S. and Wolverton, Chris and Scheidgen, Markus and Toher, Cormac and Conduit, Gareth~J. and Pizzi, Giovanni and Gra\v{z}ulis, Saulius and Rignanese, Gian-Marco and Armiento, Rickard},
  title   = {Developments and applications of the {OPTIMADE} {API} for materials discovery, design, and data exchange},
  journal = {Digital Discovery},
  volume  = {3},
  pages   = {1509--1533},
  year    = {2024},
  doi     = {10.1039/D4DD00039K}
}

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Graphical abstract for Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery
42
Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery
S. Divilov†, H. Eckert†, D. Hicks†, C. Oses†, C. Toher†, R. Friedrich, M. Esters, M. J. Mehl, A. C. Zettel, Y. Lederer, E. Zurek, J.-P. Maria, D. W. Brenner, X. Campilongo, S. Filipović, W. G. Fahrenholtz, C. J. Ryan, C. M. DeSalle, R. J. Crealese, D. E. Wolfe, A. Calzolari, and S. Curtarolo
Nature 625, 66–73 (2024)
DOI:10.1038/s41586-023-06786-y PDF
BibTeX 
@article{divilov2024disordered,
  author  = {Divilov, Simon and Eckert, Hagen and Hicks, David and Oses, Corey and Toher, Cormac and Friedrich, Rico and Esters, Marco and Mehl, Michael~J. and Zettel, Adam~C. and Lederer, Yoav and Zurek, Eva and Maria, Jon-Paul and Brenner, Donald~W. and Campilongo, Xiomara and Filipovi{\'{c}}, Suzana and Fahrenholtz, William~G. and Ryan, Caillin~J. and DeSalle, Christopher~M. and Crealese, Ryan~J. and Wolfe, Douglas~E. and Calzolari, Arrigo and Curtarolo, Stefano},
  title   = {Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery},
  journal = {Nature},
  volume  = {625},
  pages   = {66--73},
  year    = {2024},
  doi     = {10.1038/s41586-023-06786-y}
}

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Graphical abstract for Materials Design for Hypersonics
41
Materials Design for Hypersonics
A. B. Peters, D. Zhang, S. Chen, C. Ott, C. Oses, S. Curtarolo, I. McCue, T. Pollock, and S. E. Prameela
Nature Communications 15, 3328 (2024)
Editors' Highlight, Springer Nature (2024)
DOI:10.1038/s41467-024-46753-3 PDF
BibTeX 
@article{peters2024materials,
  author  = {Peters, Adam~B. and Zhang, Dajie and Chen, Samuel and Ott, Catherine and Oses, Corey and Curtarolo, Stefano and McCue, Ian and Pollock, Tresa and Prameela, Suhas~Eswarappa},
  title   = {Materials Design for Hypersonics},
  journal = {Nature Communications},
  volume  = {15},
  pages   = {3328},
  year    = {2024},
  doi     = {10.1038/s41467-024-46753-3}
}

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2023

Graphical abstract for Influence of Processing on the Microstructural Evolution and Multiscale Hardness in Titanium Carbonitrides (TiCN) Produced via Field Assisted Sintering Technology
40
Influence of Processing on the Microstructural Evolution and Multiscale Hardness in Titanium Carbonitrides (TiCN) Produced via Field Assisted Sintering Technology
D. E. Wolfe, C. M. DeSalle, C. J. Ryan, R. E. Slapikas, R. T. Sweny, R. J. Crealese, P. A. Kolonin, S. P. Stepanoff, A. Haque, S. Divilov, H. Eckert, C. Oses, M. Esters, D. W. Brenner, W. G. Fahrenholtz, J.-P. Maria, C. Toher, E. Zurek, and S. Curtarolo
Materialia 27, 101682 (2023)
DOI:10.1016/j.mtla.2023.101682
BibTeX 
@article{wolfe2023influence,
  author  = {Wolfe, Douglas~E. and DeSalle, Christopher~M. and Ryan, Caillin~J. and Slapikas, Robert~E. and Sweny, Ryan~T. and Crealese, Ryan~J. and Kolonin, Petr~A. and Stepanoff, Sergei~P. and Haque, Aman and Divilov, Simon and Eckert, Hagen and Oses, Corey and Esters, Marco and Brenner, Donald~W. and Fahrenholtz, William~G. and Maria, Jon-Paul and Toher, Cormac and Zurek, Eva and Curtarolo, Stefano},
  title   = {Influence of Processing on the Microstructural Evolution and Multiscale Hardness in Titanium Carbonitrides ({TiCN}) Produced via Field Assisted Sintering Technology},
  journal = {Materialia},
  volume  = {27},
  pages   = {101682},
  year    = {2023},
  doi     = {10.1016/j.mtla.2023.101682}
}

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Graphical abstract for aflow++: a C++ framework for autonomous materials design
39
aflow++: a C++ framework for autonomous materials design
C. Oses, M. Esters, D. Hicks, S. Divilov, H. Eckert, R. Friedrich, M. J. Mehl, A. Smolyanyuk, X. Campilongo, A. van de Walle, J. Schroers, A. G. Kusne, I. Takeuchi, E. Zurek, M. Buongiorno Nardelli, M. Fornari, Y. Lederer, O. Levy, C. Toher, and S. Curtarolo
Computational Materials Science 217, 111889 (2023)
Editor's Choice, Elsevier (2022)
DOI:10.1016/j.commatsci.2022.111889 PDF
BibTeX 
@article{oses2023aflow,
  author  = {Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael~J. and Smolyanyuk, Andriy and Campilongo, Xiomara and van de Walle, Axel and Schroers, Jan and Kusne, Aaron~Gilad and Takeuchi, Ichiro and Zurek, Eva and {Buongiorno Nardelli}, Marco and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano},
  title   = {aflow++: a {C++} framework for autonomous materials design},
  journal = {Computational Materials Science},
  volume  = {217},
  pages   = {111889},
  year    = {2023},
  doi     = {10.1016/j.commatsci.2022.111889}
}

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Graphical abstract for aflow.org: a web ecosystem of databases, software and tools
38
aflow.org: a web ecosystem of databases, software and tools
M. Esters, C. Oses, S. Divilov, H. Eckert, R. Friedrich, D. Hicks, M. J. Mehl, F. Rose, A. Smolyanyuk, A. Calzolari, X. Campilongo, C. Toher, and S. Curtarolo
Computational Materials Science 216, 111808 (2023)
DOI:10.1016/j.commatsci.2022.111808 PDF
BibTeX 
@article{esters2023afloworg,
  author  = {Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael~J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano},
  title   = {aflow.org: a web ecosystem of databases, software and tools},
  journal = {Computational Materials Science},
  volume  = {216},
  pages   = {111808},
  year    = {2023},
  doi     = {10.1016/j.commatsci.2022.111808}
}

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Graphical abstract for QH-POCC: taming tiling entropy in thermal expansion calculations of disordered materials
37
QH-POCC: taming tiling entropy in thermal expansion calculations of disordered materials
M. Esters†, A. Smolyanyuk†, C. Oses, D. Hicks, S. Divilov, H. Eckert, X. Campilongo, C. Toher, and S. Curtarolo
Acta Materialia 245, 118594 (2023)
DOI:10.1016/j.actamat.2022.118594 PDF
BibTeX 
@article{esters2023qhpocc,
  author  = {Esters, Marco and Smolyanyuk, Andriy and Oses, Corey and Hicks, David and Divilov, Simon and Eckert, Hagen and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano},
  title   = {{QH-POCC}: taming tiling entropy in thermal expansion calculations of disordered materials},
  journal = {Acta Materialia},
  volume  = {245},
  pages   = {118594},
  year    = {2023},
  doi     = {10.1016/j.actamat.2022.118594}
}

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2022

Graphical abstract for Plasmonic high-entropy carbides
36
Plasmonic high-entropy carbides
A. Calzolari, C. Oses, C. Toher, M. Esters, X. Campilongo, S. P. Stepanoff, D. E. Wolfe, and S. Curtarolo
Nature Communications 13, 5993 (2022)
DOI:10.1038/s41467-022-33497-1 PDF
BibTeX 
@article{calzolari2022plasmonic,
  author  = {Calzolari, Arrigo and Oses, Corey and Toher, Cormac and Esters, Marco and Campilongo, Xiomara and Stepanoff, Sergei~P. and Wolfe, Douglas~E. and Curtarolo, Stefano},
  title   = {Plasmonic high-entropy carbides},
  journal = {Nature Communications},
  volume  = {13},
  pages   = {5993},
  year    = {2022},
  doi     = {10.1038/s41467-022-33497-1}
}

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Graphical abstract for The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure
35
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure
X. Wang, D. M. Proserpio, C. Oses, C. Toher, S. Curtarolo, and E. Zurek
Angewandte Chemie 61(32), e202205129 (2022)
DOI:10.1002/anie.202205129
BibTeX 
@article{wang2022microscopic,
  author  = {Wang, Xiaoyu and Proserpio, Davide~M. and Oses, Corey and Toher, Cormac and Curtarolo, Stefano and Zurek, Eva},
  title   = {The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure},
  journal = {Angewandte Chemie},
  volume  = {61},
  number  = {32},
  pages   = {e202205129},
  year    = {2022},
  doi     = {10.1002/anie.202205129}
}

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Graphical abstract for Roadmap on Machine Learning in Electronic Structure
34
Roadmap on Machine Learning in Electronic Structure
H. J. Kulik, T. Hammerschmidt, J. Schmidt, S. Botti, M. A. L. Marques, M. Boley, M. Scheffler, M. Todorović, P. Rinke, C. Oses, A. Smolyanyuk, S. Curtarolo, A. Tkatchenko, A. P. Bartók, S. Manzhos, M. Ihara, T. Carrington, J. Behler, O. Isayev, M. Veit, A. Grisafi, J. Nigam, M. Ceriotti, K. T. Schütt, J. Westermayr, M. Gastegger, R. J. Maurer, B. Kalita, K. Burke, R. Nagai, R. Akashi, O. Sugino, J. Hermann, F. Noé, S. Pilati, C. Draxl, M. Kuban, S. Rigamonti, M. Scheidgen, M. Esters, D. Hicks, C. Toher, P. V. Balachandran, I. Tamblyn, S. Whitelam, C. Bellinger, and L. M. Ghiringhelli
Electronic Structure 4(2), 023004 (2022)
DOI:10.1088/2516-1075/ac572f PDF
BibTeX 
@article{kulik2022roadmap,
  author  = {Kulik, Heather~J. and Hammerschmidt, Thomas and Schmidt, Jonathan and Botti, Silvana and Marques, Miguel~A.~L. and Boley, Mario and Scheffler, Matthias and Todorovi\'{c}, Milica and Rinke, Patrick and Oses, Corey and Smolyanyuk, Andriy and Curtarolo, Stefano and Tkatchenko, Alexandre and Bart\'{o}k, Albert~P. and Manzhos, Sergei and Ihara, Manabu and Carrington, Tucker and Behler, J\"{o}rg and Isayev, Olexandr and Veit, Max and Grisafi, Andrea and Nigam, Jigyasa and Ceriotti, Michele and Sch\"{u}tt, Kristof~T. and Westermayr, Julia and Gastegger, Michael and Maurer, Reinhard~J. and Kalita, Bhupalee and Burke, Kieron and Nagai, Ryo and Akashi, Ryosuke and Sugino, Osamu and Hermann, Jan and No\'{e}, Frank and Pilati, Sebastiano and Draxl, Claudia and Kuban, Martin and Rigamonti, Santiago and Scheidgen, Markus and Esters, Marco and Hicks, David and Toher, Cormac and Balachandran, Prasanna~V. and Tamblyn, Isaac and Whitelam, Steven and Bellinger, Colin and Ghiringhelli, Luca~M.},
  title   = {Roadmap on Machine Learning in Electronic Structure},
  journal = {Electronic Structure},
  volume  = {4},
  number  = {2},
  pages   = {023004},
  year    = {2022},
  doi     = {10.1088/2516-1075/ac572f}
}

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Graphical abstract for Physics in the Machine: Integrating Physical Knowledge in Autonomous Phase-Mapping
33
Physics in the Machine: Integrating Physical Knowledge in Autonomous Phase-Mapping
A. G. Kusne, A. McDannald, B. DeCost, C. Oses, C. Toher, S. Curtarolo, A. Mehta, and I. Takeuchi
Frontiers in Physics 10, 815863 (2022)
DOI:10.3389/fphy.2022.815863 PDF
BibTeX 
@article{kusne2022physics,
  author  = {Kusne, Aaron~Gilad and McDannald, Austin and DeCost, Brian and Oses, Corey and Toher, Cormac and Curtarolo, Stefano and Mehta, Apurva and Takeuchi, Ichiro},
  title   = {Physics in the Machine: Integrating Physical Knowledge in Autonomous Phase-Mapping},
  journal = {Frontiers in Physics},
  volume  = {10},
  pages   = {815863},
  year    = {2022},
  doi     = {10.3389/fphy.2022.815863}
}

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Graphical abstract for High-entropy ceramics: Propelling applications through disorder
32
High-entropy ceramics: Propelling applications through disorder
C. Toher, C. Oses, M. Esters, D. Hicks, G. N. Kotsonis, C. M. Rost, D. W. Brenner, J.-P. Maria, and S. Curtarolo
MRS Bulletin 47, 194–202 (2022)
DOI:10.1557/s43577-022-00281-x
BibTeX 
@article{toher2022highentropy,
  author  = {Toher, Cormac and Oses, Corey and Esters, Marco and Hicks, David and Kotsonis, George~N. and Rost, Christina~M. and Brenner, Donald~W. and Maria, Jon-Paul and Curtarolo, Stefano},
  title   = {High-entropy ceramics: Propelling applications through disorder},
  journal = {MRS Bulletin},
  volume  = {47},
  pages   = {194--202},
  year    = {2022},
  doi     = {10.1557/s43577-022-00281-x}
}

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2021

Graphical abstract for Settling the matter of the role of vibrations in the stability of high-entropy carbides
31
Settling the matter of the role of vibrations in the stability of high-entropy carbides
M. Esters, C. Oses, D. Hicks, M. J. Mehl, M. Jahnátek, M. D. Hossain, J.-P. Maria, D. W. Brenner, C. Toher, and S. Curtarolo
Nature Communications 12, 5747 (2021)
Editors' Highlight, Springer Nature (2021)
DOI:10.1038/s41467-021-25979-5 PDF
BibTeX 
@article{esters2021settling,
  author  = {Esters, Marco and Oses, Corey and Hicks, David and Mehl, Michael~J. and Jahn\'{a}tek, Michal and Hossain, Mohammad~Delower and Maria, Jon-Paul and Brenner, Donald~W. and Toher, Cormac and Curtarolo, Stefano},
  title   = {Settling the matter of the role of vibrations in the stability of high-entropy carbides},
  journal = {Nature Communications},
  volume  = {12},
  pages   = {5747},
  year    = {2021},
  doi     = {10.1038/s41467-021-25979-5}
}

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Graphical abstract for Entropy Landscaping of High-Entropy Carbides
30
Entropy Landscaping of High-Entropy Carbides
M. D. Hossain, T. Borman, C. Oses, M. Esters, C. Toher, L. Feng, A. Kumar, W. G. Fahrenholtz, S. Curtarolo, D. W. Brenner, J. M. LeBeau, and J.-P. Maria
Advanced Materials 33(42), 2102904 (2021)
DOI:10.1002/adma.202102904
BibTeX 
@article{hossain2021entropy,
  author  = {Hossain, Mohammad~Delower and Borman, Trent and Oses, Corey and Esters, Marco and Toher, Cormac and Feng, Lun and Kumar, Abinash and Fahrenholtz, William~G. and Curtarolo, Stefano and Brenner, Donald~W. and LeBeau, James~M. and Maria, Jon-Paul},
  title   = {Entropy Landscaping of High-Entropy Carbides},
  journal = {Advanced Materials},
  volume  = {33},
  number  = {42},
  pages   = {2102904},
  year    = {2021},
  doi     = {10.1002/adma.202102904}
}

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Graphical abstract for OPTIMADE: an API for exchanging materials data
29
OPTIMADE: an API for exchanging materials data
C. W. Andersen†, R. Armiento†, E. Blokhin†, G. J. Conduit†, S. Dwaraknath†, M. L. Evans†, Á. Fekete†, A. Gopakumar†, S. Gražulis†, A. Merkys†, F. Mohamed†, C. Oses†, G. Pizzi†, G.-M. Rignanese†, M. Scheidgen†, L. Talirz†, C. Toher†, D. Winston†, R. Aversa, K. Choudhary, P. Colinet, S. Curtarolo, D. Di Stefano, C. Draxl, S. Er, M. Esters, M. Fornari, M. Giantomassi, M. Govoni, G. Hautier, V. Hegde, M. K. Horton, P. Huck, G. Huhs, J. Hummelshøj, A. Kariryaa, B. Kozinsky, S. Kumbhar, M. Liu, N. Marzari, A. J. Morris, A. Mostofi, K. A. Persson, G. Petretto, T. Purcell, F. Ricci, F. Rose, M. Scheffler, D. Speckhard, M. Uhrin, A. Vaitkus, P. Villars, D. Waroquiers, C. Wolverton, M. Wu, and X. Yang
Scientific Data 8, 217 (2021)
DOI:10.1038/s41597-021-00974-z PDF
BibTeX 
@article{andersen2021optimade,
  author  = {Andersen, Casper~W. and Armiento, Rickard and Blokhin, Evgeny and Conduit, Gareth~J. and Dwaraknath, Shyam and Evans, Matthew~L. and Fekete, \'{A}d\'{a}m and Gopakumar, Abhijith and Gra\v{z}ulis, Saulius and Merkys, Andrius and Mohamed, Fawzi and Oses, Corey and Pizzi, Giovanni and Rignanese, Gian-Marco and Scheidgen, Markus and Talirz, Leopold and Toher, Cormac and Winston, Donald and Aversa, Rossella and Choudhary, Kamal and Colinet, Pauline and Curtarolo, Stefano and {Di Stefano}, Davide and Draxl, Claudia and Er, Suleyman and Esters, Marco and Fornari, Marco and Giantomassi, Matteo and Govoni, Marco and Hautier, Geoffroy and Hegde, Vinay and Horton, Matthew~K. and Huck, Patrick and Huhs, Georg and Hummelsh{\o}j, Jens and Kariryaa, Ankit and Kozinsky, Boris and Kumbhar, Snehal and Liu, Mohan and Marzari, Nicola and Morris, Andrew~J. and Mostofi, Arash and Persson, Kristin~A. and Petretto, Guido and Purcell, Thomas and Ricci, Francesco and Rose, Frisco and Scheffler, Matthias and Speckhard, Daniel and Uhrin, Martin and Vaitkus, Antanas and Villars, Pierre and Waroquiers, David and Wolverton, Chris and Wu, Michael and Yang, Xiaoyu},
  title   = {{OPTIMADE}: an {API} for exchanging materials data},
  journal = {Scientific Data},
  volume  = {8},
  pages   = {217},
  year    = {2021},
  doi     = {10.1038/s41597-021-00974-z}
}

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Graphical abstract for Automated coordination corrected enthalpies with AFLOW-CCE
28
Automated coordination corrected enthalpies with AFLOW-CCE
R. Friedrich, M. Esters, C. Oses, S. Ki, M. J. Brenner, D. Hicks, M. J. Mehl, C. Toher, and S. Curtarolo
Physical Review Materials 5, 043803 (2021)
DOI:10.1103/PhysRevMaterials.5.043803
BibTeX 
@article{friedrich2021automated,
  author  = {Friedrich, Rico and Esters, Marco and Oses, Corey and Ki, Stuart and Brenner, Max~J. and Hicks, David and Mehl, Michael~J. and Toher, Cormac and Curtarolo, Stefano},
  title   = {Automated coordination corrected enthalpies with {AFLOW-CCE}},
  journal = {Physical Review Materials},
  volume  = {5},
  pages   = {043803},
  year    = {2021},
  doi     = {10.1103/PhysRevMaterials.5.043803}
}

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Graphical abstract for The AFLOW Library of Crystallographic Prototypes: Part 3
27
The AFLOW Library of Crystallographic Prototypes: Part 3
D. Hicks, M. J. Mehl, M. Esters, C. Oses, O. Levy, G. L. W. Hart, C. Toher, and S. Curtarolo
Computational Materials Science 199, 110450 (2021)
DOI:10.1016/j.commatsci.2021.110450
BibTeX 
@article{hicks2021aflow,
  author  = {Hicks, David and Mehl, Michael~J. and Esters, Marco and Oses, Corey and Levy, Ohad and Hart, Gus~L.~W. and Toher, Cormac and Curtarolo, Stefano},
  title   = {The {AFLOW} Library of Crystallographic Prototypes: Part 3},
  journal = {Computational Materials Science},
  volume  = {199},
  pages   = {110450},
  year    = {2021},
  doi     = {10.1016/j.commatsci.2021.110450}
}

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Graphical abstract for Tin-pest problem as a test of density functionals using high-throughput calculations
26
Tin-pest problem as a test of density functionals using high-throughput calculations
M. J. Mehl, M. Ronquillo, D. Hicks, M. Esters, C. Oses, R. Friedrich, A. Smolyanyuk, E. Gossett, D. Finkenstadt, and S. Curtarolo
Physical Review Materials 5, 083608 (2021)
DOI:10.1103/PhysRevMaterials.5.083608
BibTeX 
@article{mehl2021tinpest,
  author  = {Mehl, Michael~J. and Ronquillo, Mateo and Hicks, David and Esters, Marco and Oses, Corey and Friedrich, Rico and Smolyanyuk, Andriy and Gossett, Eric and Finkenstadt, Daniel and Curtarolo, Stefano},
  title   = {Tin-pest problem as a test of density functionals using high-throughput calculations},
  journal = {Physical Review Materials},
  volume  = {5},
  pages   = {083608},
  year    = {2021},
  doi     = {10.1103/PhysRevMaterials.5.083608}
}

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Graphical abstract for Carbon Stoichiometry and Mechanical Properties of High Entropy Carbides
25
Carbon Stoichiometry and Mechanical Properties of High Entropy Carbides
M. D. Hossain†, T. Borman†, A. Kumar, X. Chen, A. Khosravani, S. R. Kalidindi, E. A. Paisley, M. Esters, C. Oses, C. Toher, S. Curtarolo, J. M. LeBeau, D. W. Brenner, and J.-P. Maria
Acta Materialia 215, 117051 (2021)
DOI:10.1016/j.actamat.2021.117051
BibTeX 
@article{hossain2021carbon,
  author  = {Hossain, Mohammad~Delower and Borman, Trent and Kumar, Abinash and Chen, Xi and Khosravani, Ali and Kalidindi, Surya~R. and Paisley, Elizabeth~A. and Esters, Marco and Oses, Corey and Toher, Cormac and Curtarolo, Stefano and LeBeau, James~M. and Brenner, Donald~W. and Maria, Jon-Paul},
  title   = {Carbon Stoichiometry and Mechanical Properties of High Entropy Carbides},
  journal = {Acta Materialia},
  volume  = {215},
  pages   = {117051},
  year    = {2021},
  doi     = {10.1016/j.actamat.2021.117051}
}

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2020

Graphical abstract for On-the-fly Closed-loop Autonomous Materials Discovery via Bayesian Active Learning
24
On-the-fly Closed-loop Autonomous Materials Discovery via Bayesian Active Learning
A. G. Kusne†, H. Yu†, C. Wu, H. Zhang, J. Hattrick-Simpers, B. DeCost, S. Sarker, C. Oses, C. Toher, S. Curtarolo, A. V. Davydov, R. Agarwal, L. A. Bendersky, M. Li, A. Mehta, and I. Takeuchi
Nature Communications 11, 5966 (2020)
DOI:10.1038/s41467-020-19597-w PDF
BibTeX 
@article{kusne2020onthefly,
  author  = {Kusne, Aaron~Gilad and Yu, Heshan and Wu, Changming and Zhang, Huairuo and Hattrick-Simpers, Jason and DeCost, Brian and Sarker, Suchismita and Oses, Corey and Toher, Cormac and Curtarolo, Stefano and Davydov, Albert~V. and Agarwal, Ritesh and Bendersky, Leonid~A. and Li, Mo and Mehta, Apurva and Takeuchi, Ichiro},
  title   = {On-the-fly Closed-loop Autonomous Materials Discovery via Bayesian Active Learning},
  journal = {Nature Communications},
  volume  = {11},
  pages   = {5966},
  year    = {2020},
  doi     = {10.1038/s41467-020-19597-w}
}

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Graphical abstract for Discovery of novel high-entropy ceramics via machine learning
23
Discovery of novel high-entropy ceramics via machine learning
K. Kaufmann, D. Maryanovsky, W. M. Mellor, C. Zhu, A. S. Rosengarten, T. J. Harrington, C. Oses, C. Toher, S. Curtarolo, and K. S. Vecchio
npj Computational Materials 6, 42 (2020)
DOI:10.1038/s41524-020-0317-6 PDF
BibTeX 
@article{kaufmann2020discovery,
  author  = {Kaufmann, Kevin and Maryanovsky, Daniel and Mellor, William~M. and Zhu, Chaoyi and Rosengarten, Alexander~S. and Harrington, Tyler~J. and Oses, Corey and Toher, Cormac and Curtarolo, Stefano and Vecchio, Kenneth~S.},
  title   = {Discovery of novel high-entropy ceramics via machine learning},
  journal = {npj Computational Materials},
  volume  = {6},
  pages   = {42},
  year    = {2020},
  doi     = {10.1038/s41524-020-0317-6}
}

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Graphical abstract for High-entropy ceramics
22
High-entropy ceramics
C. Oses, C. Toher, and S. Curtarolo
Nature Reviews Materials 5, 295–309 (2020)
Hot paper, Web of Science (Clarivate Analytics) (2021)
DOI:10.1038/s41578-019-0170-8
BibTeX 
@article{oses2020highentropy,
  author  = {Oses, Corey and Toher, Cormac and Curtarolo, Stefano},
  title   = {High-entropy ceramics},
  journal = {Nature Reviews Materials},
  volume  = {5},
  pages   = {295--309},
  year    = {2020},
  doi     = {10.1038/s41578-019-0170-8}
}

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2019

Graphical abstract for Metallic glasses for biodegradable implants
21
Metallic glasses for biodegradable implants
D. C. Ford, D. Hicks, C. Oses, C. Toher, and S. Curtarolo
Acta Materialia 176, 297–305 (2019)
DOI:10.1016/j.actamat.2019.07.008
BibTeX 
@article{ford2019metallic,
  author  = {Ford, Denise~C. and Hicks, David and Oses, Corey and Toher, Cormac and Curtarolo, Stefano},
  title   = {Metallic glasses for biodegradable implants},
  journal = {Acta Materialia},
  volume  = {176},
  pages   = {297--305},
  year    = {2019},
  doi     = {10.1016/j.actamat.2019.07.008}
}

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Graphical abstract for Predicting Superhard Materials via a Machine Learning Informed Evolutionary Structure Search
20
Predicting Superhard Materials via a Machine Learning Informed Evolutionary Structure Search
P. Avery, X. Wang, C. Oses, E. Gossett, D. M. Proserpio, C. Toher, S. Curtarolo, and E. Zurek
npj Computational Materials 5, 89 (2019)
DOI:10.1038/s41524-019-0226-8 PDF
BibTeX 
@article{avery2019predicting,
  author  = {Avery, Patrick and Wang, Xiaoyu and Oses, Corey and Gossett, Eric and Proserpio, Davide~M. and Toher, Cormac and Curtarolo, Stefano and Zurek, Eva},
  title   = {Predicting Superhard Materials via a Machine Learning Informed Evolutionary Structure Search},
  journal = {npj Computational Materials},
  volume  = {5},
  pages   = {89},
  year    = {2019},
  doi     = {10.1038/s41524-019-0226-8}
}

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Graphical abstract for Unavoidable disorder and entropy in multi-component systems
19
Unavoidable disorder and entropy in multi-component systems
C. Toher, C. Oses, D. Hicks, and S. Curtarolo
npj Computational Materials 5, 69 (2019)
DOI:10.1038/s41524-019-0206-z PDF
BibTeX 
@article{toher2019unavoidable,
  author  = {Toher, Cormac and Oses, Corey and Hicks, David and Curtarolo, Stefano},
  title   = {Unavoidable disorder and entropy in multi-component systems},
  journal = {npj Computational Materials},
  volume  = {5},
  pages   = {69},
  year    = {2019},
  doi     = {10.1038/s41524-019-0206-z}
}

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Graphical abstract for Coordination corrected <i>ab initio</i> formation enthalpies
18
Coordination corrected ab initio formation enthalpies
R. Friedrich, D. Usanmaz, C. Oses, A. R. Supka, M. Fornari, M. Buongiorno Nardelli, C. Toher, and S. Curtarolo
npj Computational Materials 5, 59 (2019)
DOI:10.1038/s41524-019-0192-1 PDF
BibTeX 
@article{friedrich2019coordination,
  author  = {Friedrich, Rico and Usanmaz, Demet and Oses, Corey and Supka, Andrew~R. and Fornari, Marco and {Buongiorno Nardelli}, Marco and Toher, Cormac and Curtarolo, Stefano},
  title   = {Coordination corrected ab initio formation enthalpies},
  journal = {npj Computational Materials},
  volume  = {5},
  pages   = {59},
  year    = {2019},
  doi     = {10.1038/s41524-019-0192-1}
}

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Graphical abstract for AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids
17
AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids
P. Nath, D. Usanmaz, D. Hicks, C. Oses, M. Fornari, M. Buongiorno Nardelli, C. Toher, and S. Curtarolo
Physical Review Materials 3, 073801 (2019)
DOI:10.1103/PhysRevMaterials.3.073801
BibTeX 
@article{nath2019aflowqhap,
  author  = {Nath, Pinku and Usanmaz, Demet and Hicks, David and Oses, Corey and Fornari, Marco and {Buongiorno Nardelli}, Marco and Toher, Cormac and Curtarolo, Stefano},
  title   = {{AFLOW-QHA3P}: Robust and automated method to compute thermodynamic properties of solids},
  journal = {Physical Review Materials},
  volume  = {3},
  pages   = {073801},
  year    = {2019},
  doi     = {10.1103/PhysRevMaterials.3.073801}
}

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2018

Graphical abstract for AFLOW-CHULL: Cloud-oriented platform for autonomous phase stability analysis
16
AFLOW-CHULL: Cloud-oriented platform for autonomous phase stability analysis
C. Oses, E. Gossett, D. Hicks, F. Rose, M. J. Mehl, E. Perim, I. Takeuchi, S. Sanvito, M. Scheffler, Y. Lederer, O. Levy, C. Toher, and S. Curtarolo
Journal of Chemical Information and Modeling 58(12), 2477–2490 (2018)
DOI:10.1021/acs.jcim.8b00393
BibTeX 
@article{oses2018aflowchull,
  author  = {Oses, Corey and Gossett, Eric and Hicks, David and Rose, Frisco and Mehl, Michael~J. and Perim, Eric and Takeuchi, Ichiro and Sanvito, Stefano and Scheffler, Matthias and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano},
  title   = {{AFLOW-CHULL}: Cloud-oriented platform for autonomous phase stability analysis},
  journal = {Journal of Chemical Information and Modeling},
  volume  = {58},
  number  = {12},
  pages   = {2477--2490},
  year    = {2018},
  doi     = {10.1021/acs.jcim.8b00393}
}

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Graphical abstract for Data-driven design of inorganic materials with the Automatic Flow Framework for Materials Discovery
15
Data-driven design of inorganic materials with the Automatic Flow Framework for Materials Discovery
C. Oses, C. Toher, and S. Curtarolo
MRS Bulletin 43(9), 670–675 (2018)
DOI:10.1557/mrs.2018.207
BibTeX 
@article{oses2018datadriven,
  author  = {Oses, Corey and Toher, Cormac and Curtarolo, Stefano},
  title   = {Data-driven design of inorganic materials with the Automatic Flow Framework for Materials Discovery},
  journal = {MRS Bulletin},
  volume  = {43},
  number  = {9},
  pages   = {670--675},
  year    = {2018},
  doi     = {10.1557/mrs.2018.207}
}

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Graphical abstract for High-entropy high-hardness metal carbides discovered by entropy descriptors
14
High-entropy high-hardness metal carbides discovered by entropy descriptors
P. Sarker†, T. J. Harrington†, C. Toher, C. Oses, M. Samiee, J.-P. Maria, D. W. Brenner, K. S. Vecchio, and S. Curtarolo
Nature Communications 9, 4980 (2018)
DOI:10.1038/s41467-018-07160-7 PDF
BibTeX 
@article{sarker2018highentropy,
  author  = {Sarker, Pranab and Harrington, Tyler~J. and Toher, Cormac and Oses, Corey and Samiee, Mojtaba and Maria, Jon-Paul and Brenner, Donald~W. and Vecchio, Kenneth~S. and Curtarolo, Stefano},
  title   = {High-entropy high-hardness metal carbides discovered by entropy descriptors},
  journal = {Nature Communications},
  volume  = {9},
  pages   = {4980},
  year    = {2018},
  doi     = {10.1038/s41467-018-07160-7}
}

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Graphical abstract for Machine learning modeling of superconducting critical temperature
13
Machine learning modeling of superconducting critical temperature
V. Stanev, C. Oses, A. G. Kusne, E. Rodriguez, J. Paglione, S. Curtarolo, and I. Takeuchi
npj Computational Materials 4, 29 (2018)
DOI:10.1038/s41524-018-0085-8 PDF
BibTeX 
@article{stanev2018machine,
  author  = {Stanev, Valentin and Oses, Corey and Kusne, Aaron~Gilad and Rodriguez, Efrain and Paglione, Johnpierre and Curtarolo, Stefano and Takeuchi, Ichiro},
  title   = {Machine learning modeling of superconducting critical temperature},
  journal = {npj Computational Materials},
  volume  = {4},
  pages   = {29},
  year    = {2018},
  doi     = {10.1038/s41524-018-0085-8}
}

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Graphical abstract for AFLOW-ML: A RESTful API for machine-learning prediction of materials properties
12
AFLOW-ML: A RESTful API for machine-learning prediction of materials properties
E. Gossett, C. Toher, C. Oses, O. Isayev, F. Legrain, F. Rose, E. Zurek, J. Carrete, N. Mingo, A. Tropsha, and S. Curtarolo
Computational Materials Science 152, 134–145 (2018)
Editor's Choice, Elsevier (2018)
DOI:10.1016/j.commatsci.2018.03.075
BibTeX 
@article{gossett2018aflowml,
  author  = {Gossett, Eric and Toher, Cormac and Oses, Corey and Isayev, Olexandr and Legrain, Fleur and Rose, Frisco and Zurek, Eva and Carrete, Jes\'{u}s and Mingo, Natalio and Tropsha, Alexander and Curtarolo, Stefano},
  title   = {{AFLOW-ML}: A {RESTful} {API} for machine-learning prediction of materials properties},
  journal = {Computational Materials Science},
  volume  = {152},
  pages   = {134--145},
  year    = {2018},
  doi     = {10.1016/j.commatsci.2018.03.075}
}

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Graphical abstract for AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals
11
AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals
D. Hicks, C. Oses, E. Gossett, G. Gomez, R. H. Taylor, C. Toher, M. J. Mehl, O. Levy, and S. Curtarolo
Acta Crystallographica Section A 74, 184–203 (2018)
DOI:10.1107/S2053273318003066
BibTeX 
@article{hicks2018aflowsym,
  author  = {Hicks, David and Oses, Corey and Gossett, Eric and Gomez, Geena and Taylor, Richard~H. and Toher, Cormac and Mehl, Michael~J. and Levy, Ohad and Curtarolo, Stefano},
  title   = {{AFLOW-SYM}: platform for the complete, automatic and self-consistent symmetry analysis of crystals},
  journal = {Acta Crystallographica Section A},
  volume  = {74},
  pages   = {184--203},
  year    = {2018},
  doi     = {10.1107/S2053273318003066}
}

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2017

Graphical abstract for The structure and composition statistics of 6A binary and ternary structures
10
The structure and composition statistics of 6A binary and ternary structures
A. Hever, C. Oses, S. Curtarolo, O. Levy, and A. Natan
Inorganic Chemistry 57(2), 653–667 (2017)
DOI:10.1021/acs.inorgchem.7b02462
BibTeX 
@article{hever2017structure,
  author  = {Hever, Alon and Oses, Corey and Curtarolo, Stefano and Levy, Ohad and Natan, Amir},
  title   = {The structure and composition statistics of {6A} binary and ternary structures},
  journal = {Inorganic Chemistry},
  volume  = {57},
  number  = {2},
  pages   = {653--667},
  year    = {2017},
  doi     = {10.1021/acs.inorgchem.7b02462}
}

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Graphical abstract for AFLUX: The LUX materials search API for the AFLOW data repositories
9
AFLUX: The LUX materials search API for the AFLOW data repositories
F. Rose, C. Toher, E. Gossett, C. Oses, M. Buongiorno Nardelli, M. Fornari, and S. Curtarolo
Computational Materials Science 137, 362–370 (2017)
Editor's Choice, Elsevier (2017)
DOI:10.1016/j.commatsci.2017.04.036
BibTeX 
@article{rose2017aflux,
  author  = {Rose, Frisco and Toher, Cormac and Gossett, Eric and Oses, Corey and {Buongiorno Nardelli}, Marco and Fornari, Marco and Curtarolo, Stefano},
  title   = {{AFLUX}: The {LUX} materials search {API} for the {AFLOW} data repositories},
  journal = {Computational Materials Science},
  volume  = {137},
  pages   = {362--370},
  year    = {2017},
  doi     = {10.1016/j.commatsci.2017.04.036}
}

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Graphical abstract for Universal Fragment Descriptors for Predicting Properties of Inorganic Crystals
8
Universal Fragment Descriptors for Predicting Properties of Inorganic Crystals
O. Isayev†, C. Oses†, C. Toher, E. Gossett, S. Curtarolo, and A. Tropsha
Nature Communications 8, 15679 (2017)
DOI:10.1038/ncomms15679 PDF
BibTeX 
@article{isayev2017universal,
  author  = {Isayev, Olexandr and Oses, Corey and Toher, Cormac and Gossett, Eric and Curtarolo, Stefano and Tropsha, Alexander},
  title   = {Universal Fragment Descriptors for Predicting Properties of Inorganic Crystals},
  journal = {Nature Communications},
  volume  = {8},
  pages   = {15679},
  year    = {2017},
  doi     = {10.1038/ncomms15679}
}

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Graphical abstract for Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids
7
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids
C. Toher, C. Oses, J. J. Plata, D. Hicks, F. Rose, O. Levy, M. de Jong, M. Asta, M. Fornari, M. Buongiorno Nardelli, and S. Curtarolo
Physical Review Materials 1, 015401 (2017)
DOI:10.1103/PhysRevMaterials.1.015401
BibTeX 
@article{toher2017combining,
  author  = {Toher, Cormac and Oses, Corey and Plata, Jose~J. and Hicks, David and Rose, Frisco and Levy, Ohad and de Jong, Maarten and Asta, Mark and Fornari, Marco and {Buongiorno Nardelli}, Marco and Curtarolo, Stefano},
  title   = {Combining the {AFLOW} {GIBBS} and elastic libraries to efficiently and robustly screen thermomechanical properties of solids},
  journal = {Physical Review Materials},
  volume  = {1},
  pages   = {015401},
  year    = {2017},
  doi     = {10.1103/PhysRevMaterials.1.015401}
}

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Graphical abstract for A Computational High-Throughput Search for New Ternary Superalloys
6
A Computational High-Throughput Search for New Ternary Superalloys
C. Nyshadham, C. Oses, J. E. Hansen, I. Takeuchi, S. Curtarolo, and G. L. W. Hart
Acta Materialia 122, 438–447 (2017)
DOI:10.1016/j.actamat.2016.09.017
BibTeX 
@article{nyshadham2017computational,
  author  = {Nyshadham, Chandramouli and Oses, Corey and Hansen, Jacob~E. and Takeuchi, Ichiro and Curtarolo, Stefano and Hart, Gus~L.~W.},
  title   = {A Computational High-Throughput Search for New Ternary Superalloys},
  journal = {Acta Materialia},
  volume  = {122},
  pages   = {438--447},
  year    = {2017},
  doi     = {10.1016/j.actamat.2016.09.017}
}

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Graphical abstract for Accelerated Discovery of New Magnets in the Heusler Alloy Family
5
Accelerated Discovery of New Magnets in the Heusler Alloy Family
S. Sanvito, C. Oses, J. Xue, A. Tiwari, M. Žic, T. Archer, P. Tozman, M. Venkatesan, J. M. D. Coey, and S. Curtarolo
Science Advances 3(4), e1602241 (2017)
DOI:10.1126/sciadv.1602241 PDF
BibTeX 
@article{sanvito2017accelerated,
  author  = {Sanvito, Stefano and Oses, Corey and Xue, Junkai and Tiwari, Anurag and \v{Z}ic, Mario and Archer, Thomas and Tozman, Pelin and Venkatesan, Munuswamy and Coey, J.~Michael~D. and Curtarolo, Stefano},
  title   = {Accelerated Discovery of New Magnets in the Heusler Alloy Family},
  journal = {Science Advances},
  volume  = {3},
  number  = {4},
  pages   = {e1602241},
  year    = {2017},
  doi     = {10.1126/sciadv.1602241}
}

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2016

Graphical abstract for High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites
4
High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites
A. van Roekeghem, J. Carrete, C. Oses, S. Curtarolo, and N. Mingo
Physical Review X 6(4), 041061 (2016)
DOI:10.1103/PhysRevX.6.041061 PDF
BibTeX 
@article{vanroekeghem2016highthroughput,
  author  = {van Roekeghem, Ambroise and Carrete, Jes\'{u}s and Oses, Corey and Curtarolo, Stefano and Mingo, Natalio},
  title   = {High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites},
  journal = {Physical Review X},
  volume  = {6},
  number  = {4},
  pages   = {041061},
  year    = {2016},
  doi     = {10.1103/PhysRevX.6.041061}
}

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Graphical abstract for Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach
3
Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach
K. Yang, C. Oses, and S. Curtarolo
Chemistry of Materials 28(18), 6484–6492 (2016)
DOI:10.1021/acs.chemmater.6b01449
BibTeX 
@article{yang2016modeling,
  author  = {Yang, Kesong and Oses, Corey and Curtarolo, Stefano},
  title   = {Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach},
  journal = {Chemistry of Materials},
  volume  = {28},
  number  = {18},
  pages   = {6484--6492},
  year    = {2016},
  doi     = {10.1021/acs.chemmater.6b01449}
}

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2015

Graphical abstract for The AFLOW Standard for High-Throughput Materials Science Calculations
2
The AFLOW Standard for High-Throughput Materials Science Calculations
C. E. Calderon, J. J. Plata, C. Toher, C. Oses, O. Levy, M. Fornari, A. Natan, M. J. Mehl, G. L. W. Hart, M. Buongiorno Nardelli, and S. Curtarolo
Computational Materials Science 108A, 233–238 (2015)
Editor's Choice, Elsevier (2015)
DOI:10.1016/j.commatsci.2015.07.019
BibTeX 
@article{calderon2015aflow,
  author  = {Calderon, Camilo~E. and Plata, Jose~J. and Toher, Cormac and Oses, Corey and Levy, Ohad and Fornari, Marco and Natan, Amir and Mehl, Michael~J. and Hart, Gus~L.~W. and {Buongiorno Nardelli}, Marco and Curtarolo, Stefano},
  title   = {The {AFLOW} Standard for High-Throughput Materials Science Calculations},
  journal = {Computational Materials Science},
  volume  = {108A},
  pages   = {233--238},
  year    = {2015},
  doi     = {10.1016/j.commatsci.2015.07.019}
}

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Graphical abstract for Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
1
Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
O. Isayev, D. Fourches, E. N. Muratov, C. Oses, K. M. Rasch, A. Tropsha, and S. Curtarolo
Chemistry of Materials 27(3), 735–743 (2015)
Top 10 most highly downloaded papers for the month of January 2015, American Chemical Society (2015) Editors' Choice, American Chemical Society (2015)
DOI:10.1021/cm503507h PDF
BibTeX 
@article{isayev2015materials,
  author  = {Isayev, Olexandr and Fourches, Denis and Muratov, Eugene~N. and Oses, Corey and Rasch, Kevin~M. and Tropsha, Alexander and Curtarolo, Stefano},
  title   = {Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints},
  journal = {Chemistry of Materials},
  volume  = {27},
  number  = {3},
  pages   = {735--743},
  year    = {2015},
  doi     = {10.1021/cm503507h}
}

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Book chapters

2019

Graphical abstract for Automated computation of materials properties
3
Automated computation of materials properties
C. Toher, C. Oses, and S. Curtarolo
in Materials Informatics: Methods, Tools and Applications 181–222 (2019)
DOI:10.1002/9783527802265.ch7 publisher
BibTeX 
@incollection{toher2019automated,
  author    = {Toher, Cormac and Oses, Corey and Curtarolo, Stefano},
  title     = {Automated computation of materials properties},
  booktitle = {Materials Informatics: Methods, Tools and Applications},
  chapter   = {7},
  pages     = {181--222},
  publisher = {WILEY-VCH},
  year      = {2019},
  doi       = {10.1002/9783527802265.ch7}
}

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2018

Graphical abstract for Machine learning and high-throughput approaches to magnetism
2
Machine learning and high-throughput approaches to magnetism
S. Sanvito, M. Žic, J. Nelson, T. Archer, C. Oses, and S. Curtarolo
in Handbook of Materials Modeling. Volume 2 Applications: Current and Emerging Materials (2018)
DOI:10.1007/978-3-319-50257-1_108-1
BibTeX 
@incollection{sanvito2018machine,
  author    = {Sanvito, Stefano and \v{Z}ic, Mario and Nelson, James and Archer, Thomas and Oses, Corey and Curtarolo, Stefano},
  title     = {Machine learning and high-throughput approaches to magnetism},
  booktitle = {Handbook of Materials Modeling. Volume 2 Applications: Current and Emerging Materials},
  publisher = {Springer},
  year      = {2018},
  doi       = {10.1007/978-3-319-50257-1_108-1}
}

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Graphical abstract for The AFLOW Fleet for Materials Discovery
1
The AFLOW Fleet for Materials Discovery
C. Toher, C. Oses, D. Hicks, E. Gossett, F. Rose, P. Nath, D. Usanmaz, D. C. Ford, E. Perim, C. E. Calderon, J. J. Plata, Y. Lederer, M. Jahnátek, W. Setyawan, S. Wang, J. Xue, K. M. Rasch, R. V. Chepulskii, R. H. Taylor, G. Gomez, H. Shi, A. R. Supka, R. Al Rahal Al Orabi, P. Gopal, F. T. Cerasoli, L. Liyanage, H. Wang, I. Siloi, L. A. Agapito, C. Nyshadham, G. L. W. Hart, J. Carrete, F. Legrain, N. Mingo, E. Zurek, O. Isayev, A. Tropsha, S. Sanvito, R. M. Hanson, I. Takeuchi, M. J. Mehl, A. N. Kolmogorov, K. Yang, P. D'Amico, A. Calzolari, M. Costa, R. De Gennaro, M. Buongiorno Nardelli, M. Fornari, O. Levy, and S. Curtarolo
in Handbook of Materials Modeling. Volume 1 Methods: Theory and Modeling 1–28 (2018)
DOI:10.1007/978-3-319-42913-7_63-2
BibTeX 
@incollection{toher2018aflow,
  author    = {Toher, Cormac and Oses, Corey and Hicks, David and Gossett, Eric and Rose, Frisco and Nath, Pinku and Usanmaz, Demet and Ford, Denise~C. and Perim, Eric and Calderon, Camilo~E. and Plata, Jose~J. and Lederer, Yoav and Jahn\'{a}tek, Michal and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Rasch, Kevin~M. and Chepulskii, Roman~V. and Taylor, Richard~H. and Gomez, Geena and Shi, Harvey and Supka, Andrew~R. and {Al Rahal Al Orabi}, Rabih and Gopal, Priya and Cerasoli, Frank~T. and Liyanage, Laalitha and Wang, Haihang and Siloi, Ilaria and Agapito, Luis~A. and Nyshadham, Chandramouli and Hart, Gus~L.~W. and Carrete, Jes\'{u}s and Legrain, Fleur and Mingo, Natalio and Zurek, Eva and Isayev, Olexandr and Tropsha, Alexander and Sanvito, Stefano and Hanson, Robert~M. and Takeuchi, Ichiro and Mehl, Michael~J. and Kolmogorov, Aleksey~N. and Yang, Kesong and D'Amico, Pino and Calzolari, Arrigo and Costa, Marcio and {De Gennaro}, Riccardo and {Buongiorno Nardelli}, Marco and Fornari, Marco and Levy, Ohad and Curtarolo, Stefano},
  title     = {The {AFLOW} Fleet for Materials Discovery},
  booktitle = {Handbook of Materials Modeling. Volume 1 Methods: Theory and Modeling},
  pages     = {1--28},
  publisher = {Springer},
  year      = {2018},
  doi       = {10.1007/978-3-319-42913-7_63-2}
}

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