OPTIMADE, an API for exchanging materials data.

by 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
Published 2021

Automated high-throughput Wannierisation

by Vitale, Valerio, Pizzi, Giovanni, Marrazzo, Antimo, Yates, Jonathan R., Marzari, Nicola, Mostofi, Arash A.
Published 2021

Automated high-throughput Wannierisation

by Vitale, Valerio, Pizzi, Giovanni, Marrazzo, Antimo, Yates, Jonathan R, Marzari, Nicola, Mostofi, Arash A
Published 2021

Wannier90 as a community code: new features and applications.

by Pizzi, Giovanni, Vitale, Valerio, Arita, Ryotaro, Blügel, Stefan, Freimuth, Frank, Géranton, Guillaume, Gibertini, Marco, Gresch, Dominik, Johnson, Charles, Koretsune, Takashi, Ibañez-Azpiroz, Julen, Lee, Hyungjun, Lihm, Jae-Mo, Marchand, Daniel, Marrazzo, Antimo, Mokrousov, Yuriy, Mustafa, Jamal I, Nohara, Yoshiro, Nomura, Yusuke, Paulatto, Lorenzo, Poncé, Samuel, Ponweiser, Thomas, Qiao, Junfeng, Thöle, Florian, Tsirkin, Stepan S, Wierzbowska, Małgorzata, Marzari, Nicola, Vanderbilt, David, Souza, Ivo, Mostofi, Arash A, Yates, Jonathan R
Published 2020

Wannier90 as a community code: New features and applications

by Pizzi, Giovanni, Vitale, Valerio, Arita, Ryotaro, Blügel, Stefan, Freimuth, Frank, Géranton, Guillaume, Gibertini, Marco, Gresch, Dominik; id_orcid0000-0002-0150-0424, Johnson, Charles, Koretsune, Takashi, Ibañez-Azpiroz, Julen, Lee, Hyungjun, Lihm, Jae-Mo, Marchand, Daniel, Marrazzo, Antimo, Mokrousov, Yuriy, Mustafa, Jamal I., Nohara, Yoshiro, Nomura, Yusuke, Paulatto, Lorenzo, Poncé, Samuel, Ponweiser, Thomas, Qiao, Junfeng, Thöle, Florian, Tsirkin, Stepan S., Wierzbowska, Małgorzata, Marzari, Nicola, Vanderbilt, David, Souza, Ivo, Mostofi, Arash A., Yates, Jonathan R.
Published 2020

The ONETEP linear-scaling density functional theory program.

by Prentice, Joseph CA, Aarons, Jolyon, Womack, James C, Allen, Alice EA, Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A, Bhandari, Arihant, Bramley, Gabriel A, Charlton, Robert J, Clements, Rebecca J, Cole, Daniel J, Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M-M, Duff, Kevin KB, Escartín, José María, Greco, Andrea, Hill, Quintin, Lee, Louis P, Linscott, Edward, O'Regan, David D, Phipps, Maximillian JS, Ratcliff, Laura E, Serrano, Álvaro Ruiz, Tait, Edward W, Teobaldi, Gilberto, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J, Dziedzic, Jacek, Haynes, Peter D, Hine, Nicholas DM, Mostofi, Arash A, Payne, Mike C, Skylaris, Chris-Kriton
Published 2022

The CECAM electronic structure library and the modular software development paradigm.

by Oliveira, Micael JT, Papior, Nick, Pouillon, Yann, Blum, Volker, Artacho, Emilio, Caliste, Damien, Corsetti, Fabiano, de Gironcoli, Stefano, Elena, Alin M, García, Alberto, García-Suárez, Víctor M, Genovese, Luigi, Huhn, William P, Huhs, Georg, Kokott, Sebastian, Küçükbenli, Emine, Larsen, Ask H, Lazzaro, Alfio, Lebedeva, Irina V, Li, Yingzhou, López-Durán, David, López-Tarifa, Pablo, Lüders, Martin, Marques, Miguel AL, Minar, Jan, Mohr, Stephan, Mostofi, Arash A, O'Cais, Alan, Payne, Mike C, Ruh, Thomas, Smith, Daniel GA, Soler, José M, Strubbe, David A, Tancogne-Dejean, Nicolas, Tildesley, Dominic, Torrent, Marc, Yu, Victor Wen-Zhe
Published 2020