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Gavini, Vikram https://orcid.org/0000-0002-9451-2300

Baroni, Stefano https://orcid.org/0000-0002-3508-6663

Blum, Volker https://orcid.org/0000-0001-8660-7230

Bowler, David R https://orcid.org/0000-0001-7853-1520

Buccheri, Alexander https://orcid.org/0000-0001-5983-8631

Chelikowsky, James R https://orcid.org/0000-0003-2181-3070

Das, Sambit https://orcid.org/0000-0002-6356-6015

Dawson, William

Delugas, Pietro https://orcid.org/0000-0003-0892-7655

Dogan, Mehmet https://orcid.org/0000-0001-5414-362X

Draxl, Claudia https://orcid.org/0000-0003-3523-6657

Galli, Giulia https://orcid.org/0000-0002-8001-5290

Genovese, Luigi https://orcid.org/0000-0003-1747-0247

Giannozzi, Paolo https://orcid.org/0000-0002-9635-3227

Giantomassi, Matteo

Gonze, Xavier https://orcid.org/0000-0002-8377-6829

Govoni, Marco https://orcid.org/0000-0001-6303-2403

Gygi, François https://orcid.org/0000-0002-2287-6017

Gulans, Andris https://orcid.org/0000-0001-7304-1952

Herbert, John M https://orcid.org/0000-0002-1663-2278

Kokott, Sebastian https://orcid.org/0000-0003-1066-6909

Kühne, Thomas D https://orcid.org/0000-0001-5471-2407

Liou, Kai-Hsin https://orcid.org/0000-0002-0930-0005

Miyazaki, Tsuyoshi

Motamarri, Phani https://orcid.org/0000-0003-3160-7334

Nakata, Ayako

Pask, John E

Plessl, Christian https://orcid.org/0000-0001-5728-9982

Ratcliff, Laura E

Richard, Ryan M https://orcid.org/0000-0003-4235-5179

Rossi, Mariana https://orcid.org/0000-0002-3552-0677

Schade, Robert https://orcid.org/0000-0002-6268-5397

Scheffler, Matthias https://orcid.org/0000-0002-1280-9873

Schütt, Ole https://orcid.org/0009-0005-8661-3418

Suryanarayana, Phanish https://orcid.org/0000-0001-5172-0049

Torrent, Marc

Truflandier, Lionel

Windus, Theresa L https://orcid.org/0000-0001-6065-3167

Xu, Qimen

Yu, Victor W-Z https://orcid.org/0000-0002-6568-1244

Perez, D https://orcid.org/0000-0003-3028-5249

Funding for this research was provided by:

EU MaX Centre of Excellence for HPC applications (824143)

Très Grand Centre de Calcul du CEA

European Union’s Horizon 2020 research and innovation program (951786)

JSPS Grant-in-Aid for Scientific Research (18H01143)

U.S. DoE Exascale Computing Project (17-SC-20-SC)

U.S. DOE, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (DE-AC02-05CH11231)

EPSRC Early Career Research Fellowship (EP/P033253/1)

CEA-RIKEN collaborative action

MaX EU center of Excellence

JSPS Grant-in-Aid for Transformative Research Areas (20H05878))

Toyota Research Institute

US Department of Energy, Basic Energy Sciences (DE-SC0019410)

Deutsche Forschungsgemeinschaft (414984028)

ERC Advanced Grant TEC1P (740233)

National Science Foundation (1450280)

U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences (DE-SC0008550)

U.S. Army Research Office

Department of Science and Technology, India

U.S. Air Force Office of Scientific Research

NFDI consortium FAIRmat (460197019)

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Text and Data Mining valid from 2023-08-07