Universal fragment descriptors for predicting properties of inorganic crystals

par Olexandr Isayev, Corey Oses, Cormac Toher, Eric Gossett, Stefano Curtarolo, Alexander Tropsha
Publié 2017

AFLOW-XtalFinder: a reliable choice to identify crystalline prototype

par David Hicks, Cormac Toher, Denise C. Ford, Frisco Rose, Carlo De Santo, Ohad Levy, Michael J. Mehl, Stefano Curtarolo
Publié 2021

High-entropy high-hardness metal carbides discovered by entropy descriptors

par Pranab Sarker, Tyler Harrington, Cormac Toher, Corey Oses, Mojtaba Samiee, Jon-Paul Maria, Donald W. Brenner, Kenneth S. Vecchio, Stefano Curtarolo
Publié 2018

Settling the matter of the role of vibrations in the stability of high-entropy carbides

par Marco Esters, Corey Oses, David Hicks, Michael J. Mehl, Michal Jahnátek, Mohammad Delower Hossain, Jon-Paul Maria, Donald W. Brenner, Cormac Toher, Stefano Curtarolo
Publié 2021

Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases

par Eric Perim, Dongwoo Lee, Yanhui Liu, Cormac Toher, Pan Gong, Yanglin Li, W. Neal Simmons, Ohad Levy, Joost J. Vlassak, Jan Schroers, Stefano Curtarolo
Publié 2016

On-the-fly closed-loop materials discovery via Bayesian active learning

par A. Gilad Kusne, Heshan Yu, Changming Wu, Huairuo Zhang, Jason Hattrick-Simpers, Brian DeCost, Suchismita Sarker, Corey Oses, Cormac Toher, Stefano Curtarolo, Albert V. Davydov, Ritesh Agarwal, Leonid A. Bendersky, Mo Li, Apurva Mehta, Ichiro Takeuchi
Publié 2020

OPTIMADE, an API for exchanging materials data

par Casper W. Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J. Conduit, Shyam Dwaraknath, Matthew L. Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian-Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Suleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K. Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J. Morris, Arash A. Mostofi, Kristin A. Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang
Publié 2021