The Limited Predictive Power of the Pauling Rules

por George, Janine, Waroquiers, David, Di Stefano, Davide, Petretto, Guido, Rignanese, Gian‐Marco, Hautier, Geoffroy
Publicado 2020

High-throughput density-functional perturbation theory phonons for inorganic materials

por Petretto, Guido, Dwaraknath, Shyam, P.C. Miranda, Henrique, Winston, Donald, Giantomassi, Matteo, van Setten, Michiel J., Gonze, Xavier, Persson, Kristin A., Hautier, Geoffroy, Rignanese, Gian-Marco
Publicado 2018

Amorphization mechanism of SrIrO(3) electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization

por Wan, Gang, Freeland, John W., Kloppenburg, Jan, Petretto, Guido, Nelson, Jocienne N., Kuo, Ding-Yuan, Sun, Cheng-Jun, Wen, Jianguo, Diulus, J. Trey, Herman, Gregory S., Dong, Yongqi, Kou, Ronghui, Sun, Jingying, Chen, Shuo, Shen, Kyle M., Schlom, Darrell G., Rignanese, Gian-Marco, Hautier, Geoffroy, Fong, Dillon D., Feng, Zhenxing, Zhou, Hua, Suntivich, Jin
Publicado 2021

OPTIMADE, an API for exchanging materials data

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