High-throughput electronic band structure calculations: Challenges and tools von Setyawan, Wahyu, Curtarolo, Stefano

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The search for high entropy alloys: A high-throughput ab-initio approach von Lederer, Yoav, Toher, Cormac, Vecchio, Kenneth S., Curtarolo, Stefano

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On-the-fly closed-loop materials discovery via Bayesian active learning von Kusne, A. Gilad, Yu, Heshan, Wu, Changming, Zhang, Huairuo, Hattrick-Simpers, Jason, DeCost, Brian, Sarker, Suchismita, Oses, Corey, Toher, Cormac, Curtarolo, Stefano, Davydov, Albert V., Agarwal, Ritesh, Bendersky, Leonid A., Li, Mo, Mehta, Apurva, Takeuchi, Ichiro

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Machine learning for alloys von Hart, Gus L. W., Mueller, Tim, Toher, Cormac, Curtarolo, Stefano

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XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction von Avery, Patrick, Toher, Cormac, Curtarolo, Stefano, Zurek, Eva

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High-entropy high-hardness metal carbides discovered by entropy descriptors von Sarker, Pranab, Harrington, Tyler, Toher, Cormac, Oses, Corey, Samiee, Mojtaba, Maria, Jon-Paul, Brenner, Donald W., Vecchio, Kenneth S., Curtarolo, Stefano

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All The Catalytic Active Sites of MoS2 for Hydrogen Evolution von Li, Guoqing, Zhang, Du, Qiao, Qiao, Yu, Yifei, Peterson, David, Zafar, Abdullah, Kumar, Raj, Curtarolo, Stefano, Hunte, Frank, Shannon, Steve, Zhu, Yimei, Yang, Weitao, Cao, Linyou

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Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study von Carrete, Jesús, Mingo, Natalio, Wang, Shidong, Curtarolo, Stefano

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Phase stability and mechanical properties of novel high entropy transition metal carbides von Harrington, Tyler J., Gild, Joshua, Sarker, Pranab, Toher, Cormac, Rost, Christina M., Dippo, Olivia F., McElfresh, Cameron, Kaufmann, Kevin, Marin, Eduardo, Borowski, Lucas, Hopkins, Patrick E., Luo, Jian, Curtarolo, Stefano, Brenner, Donald W., Vecchio, Kenneth S.

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The high-throughput highway to computational materials design von Curtarolo, Stefano, Hart, Gus L. W., Nardelli, Marco Buongiorno, Mingo, Natalio, Sanvito, Stefano, Levy, Ohad

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Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints von Isayev, Olexandr, Fourches, Denis, Muratov, Eugene N, Oses, Corey, Rasch, Kevin, Tropsha, Alexander, Curtarolo, Stefano

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The AFLOW Library of Crystallographic Prototypes: Part 1 von Mehl, Michael J., Hicks, David, Toher, Cormac, Levy, Ohad, Hanson, Robert M., Hart, Gus, Curtarolo, Stefano

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Discovery of high-entropy ceramics via machine learning von Kaufmann, Kevin, Maryanovsky, Daniel, Mellor, William M., Zhu, Chaoyi, Rosengarten, Alexander S., Harrington, Tyler J., Oses, Corey, Toher, Cormac, Curtarolo, Stefano, Vecchio, Kenneth S.

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Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery von Agapito, Luis A., Curtarolo, Stefano, Buongiorno Nardelli, Marco

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Settling the matter of the role of vibrations in the stability of high-entropy carbides von Esters, Marco, Oses, Corey, Hicks, David, Mehl, Michael J., Jahnátek, Michal, Hossain, Mohammad Delower, Maria, Jon-Paul, Brenner, Donald W., Toher, Cormac, Curtarolo, Stefano

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The AFLOW Library of Crystallographic Prototypes: Part 2 von Hicks, David, Mehl, Michael J., Gossett, Eric, Toher, Cormac, Levy, Ohad, Hanson, Robert M., Hart, Gus, Curtarolo, Stefano

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Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy von Hong, Qi-Jun, Schroers, Jan, Hofmann, Douglas, Curtarolo, Stefano, Asta, Mark, van de Walle, Axel

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The AFLOW standard for high-throughput materials science calculations von Calderon, Camilo E., Plata, Jose J., Toher, Cormac, Oses, Corey, Levy, Ohad, Fornari, Marco, Natan, Amir, Mehl, Michael J., Hart, Gus, Buongiorno Nardelli, Marco, Curtarolo, Stefano

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AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations von Curtarolo, Stefano, Setyawan, Wahyu, Wang, Shidong, Xue, Junkai, Yang, Kesong, Taylor, Richard H., Nelson, Lance J., Hart, Gus L.W., Sanvito, Stefano, Buongiorno-Nardelli, Marco, Mingo, Natalio, Levy, Ohad

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Accelerated discovery of new magnets in the Heusler alloy family von Sanvito, Stefano, Oses, Corey, Xue, Junkai, Tiwari, Anurag, Zic, Mario, Archer, Thomas, Tozman, Pelin, Venkatesan, Munuswamy, Coey, Michael, Curtarolo, Stefano

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