Authors: Ghiringhelli, Luca M.^{Aff1, Aff2, Aff25, IDs41597023025018_cor1}, Baldauf, Carsten, Bereau, Tristan, Brockhauser, Sandor, Carbogno, Christian, Chamanara, Javad, Cozzini, Stefano, Curtarolo, Stefano, Draxl, Claudia^{Aff1, Aff2}, Dwaraknath, Shyam, Fekete, Ádám, Kermode, James, Koch, Christoph T., Kühbach, Markus, Ladines, Alvin Noe, Lambrix, Patrick, Himmer, Maja-Olivia, Levchenko, Sergey V., Oliveira, Micael, Michalchuk, Adam^{Aff13, Aff14}, Miller, Ronald E., Onat, Berk, Pavone, Pasquale, Pizzi, Giovanni^{Aff16, Aff17}, Regler, Benjamin, Rignanese, Gian-Marco, Schaarschmidt, Jörg, Scheidgen, Markus, Schneidewind, Astrid, Sheveleva, Tatyana, Su, Chuanxun, Usvyat, Denis, Valsson, Omar, Wöll, Christof, Scheffler, Matthias^{Aff1, Aff2}

Superior Title: Scientific Data. 10(1)

Authors: Evans, Matthew L., Bergsma, Johan, Merkys, Andrius, Andersen, Casper W., Andersson, Oskar B., Beltrán, Daniel, Blokhin, Evgeny, Boland, Tara M., Balderas, Rubén Castañeda, Choudhary, Kamal, Díaz, Alberto Díaz, García, Rodrigo Domínguez, Eckert, Hagen, Eimre, Kristjan, Montero, María Elena Fuentes, Krajewski, Adam M., Mortensen, Jens Jørgen, Duarte, José Manuel Nápoles, Pietryga, Jacob, Qi, Ji, Carrillo, Felipe de Jesús Trejo, Vaitkus, Antanas, Yu, Jusong, Zettel, Adam, de Castro, Pedro Baptista, Carlsson, Johan, Cerqueira, Tiago F. T., Divilov, Simon, Hajiyani, Hamidreza, Hanke, Felix, Jose, Kevin, Oses, Corey, Riebesell, Janosh, Schmidt, Jonathan, Winston, Donald, Xie, Christen, Yang, Xiaoyu, Bonella, Sara, Botti, Silvana, Curtarolo, Stefano, Draxl, Claudia, Cobas, Luis Edmundo Fuentes, Hospital, Adam, Liu, Zi-Kui, Marques, Miguel A. L., Marzari, Nicola, Morris, Andrew J., Ong, Shyue Ping, Orozco, Modesto, Persson, Kristin A.

Subject Terms: Materials Science cond-mat.mtrl-sci, FOS Physical sciences

Relation: https://dx.doi.org/10.1039/d4dd00039k

Availability: https://doi.org/10.48550/arxiv.2402.0057210.1039/d4dd00039k
https://arxiv.org/abs/2402.00572

Authors: Monga, Sanchi, Jain, Manjari, Draxl, Claudia, Bhattacharya, Saswata

Subject Terms: Materials Science cond-mat.mtrl-sci, FOS Physical sciences

Availability: https://doi.org/10.48550/arxiv.2404.16494
https://arxiv.org/abs/2404.16494

Authors: Kuban, Martin, Gabaj, Šimon, Aggoune, Wahib, Vona, Cecilia, Rigamonti, Santiago, Draxl, Claudia^{Aff1, IDs4357702200339w_cor6}

Superior Title: MRS Bulletin. 47(10):991-999

Authors: Rodrigues Pela, Ronaldo^{Aff1, IDs41524024012532_cor1}, Vona, Cecilia, Lubeck, Sven, Alex, Ben, Gonzalez Oliva, Ignacio, Draxl, Claudia^{Aff2, Aff3}

Superior Title: npj Computational Materials. 10(1)

Authors: Gavini, Vikram, Baroni, Stefano, Blum, Volker, Bowler, David R, Buccheri, Alexander, Chelikowsky, James R, Das, Sambit, Dawson, William, Delugas, Pietro, Dogan, Mehmet, Draxl, Claudia, Galli, Giulia, Genovese, Luigi, Giannozzi, Paolo, Giantomassi, Matteo, Gonze, Xavier, Govoni, Marco, Gygi, François, Gulans, Andris, Herbert, John M, Kokott, Sebastian, Kühne, Thomas D, Liou, Kai-Hsin, Miyazaki, Tsuyoshi, Motamarri, Phani, Nakata, Ayako, Pask, John E, Plessl, Christian, Ratcliff, Laura E, Richard, Ryan M, Rossi, Mariana, Schade, Robert, Scheffler, Matthias, Schütt, Ole, Suryanarayana, Phanish, Torrent, Marc, Truflandier, Lionel, Windus, Theresa L, Xu, Qimen, Yu, Victor W-Z, Perez, D

Contributors: Gavini, Vikram, Baroni, Stefano, Blum, Volker, Bowler, David R, Buccheri, Alexander, Chelikowsky, James R, Das, Sambit, Dawson, William, Delugas, Pietro, Dogan, Mehmet, Draxl, Claudia, Galli, Giulia, Genovese, Luigi, Giannozzi, Paolo, Giantomassi, Matteo, Gonze, Xavier, Govoni, Marco, Gygi, Françoi, Gulans, Andri, Herbert, John M, Kokott, Sebastian, Kühne, Thomas D, Liou, Kai-Hsin, Miyazaki, Tsuyoshi, Motamarri, Phani, Nakata, Ayako, Pask, John E, Plessl, Christian, Ratcliff, Laura E, Richard, Ryan M, Rossi, Mariana, Schade, Robert, Scheffler, Matthia, Schütt, Ole, Suryanarayana, Phanish, Torrent, Marc, Truflandier, Lionel, Windus, Theresa L, Xu, Qimen, Yu, Victor W-Z, Perez, D

Subject Terms: electronic structure calculation, materials science, modeling and simulation

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:001043836900001; volume:31; issue:6; firstpage:063301; lastpage:063301; journal:MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING; https://hdl.handle.net/11380/1312809; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85167870692

Availability: https://doi.org/10.1088/1361-651X/acdf06
https://hdl.handle.net/11380/1312809

Authors: Mansour, Ahmed E., Rotheray, Lucia, Helbig, Kerstin, Bott, Silvana, Weber, Heiko B., Aeschlimann, Martin, Draxl, Claudia

Subject Terms: CoRDI 2023, Data Management Plans, Research Data Management, RDM, FDM, NOMAD, Data life cycle

Relation: https://zenodo.org/communities/cordi-2023; https://zenodo.org/communities/fairmat_nfdi; https://zenodo.org/record/8340445; https://doi.org/10.5281/zenodo.8340445; oai:zenodo.org:8340445

Availability: https://doi.org/10.5281/zenodo.8340445
https://doi.org/10.52825/CoRDI.v1i.378
https://doi.org/10.5281/zenodo.8340444
https://zenodo.org/record/8340445

Authors: Scheffler, Matthias^{Aff1, Aff2}, Aeschlimann, Martin, Albrecht, Martin, Bereau, Tristan, Bungartz, Hans-Joachim, Felser, Claudia, Greiner, Mark, Groß, Axel, Koch, Christoph T., Kremer, Kurt, Nagel, Wolfgang E., Scheidgen, Markus, Wöll, Christof, Draxl, Claudia^{Aff1, Aff2, IDs4158602204501x_cor14}

Superior Title: Nature: International weekly journal of science. 604(7907):635-642

Authors: Azizi, Maryam, Wilhelm, Jan, Golze, Dorothea, Giantomassi, Matteo, Panadés-Barrueta, Ramón L., Delesma, Francisco A., Buccheri, Alexander, Gulans, Andris, Rinke, Patrick, Draxl, Claudia, Gonze, Xavier

Contributors: UCL - SST/IMCN/MODL - Modelling

Superior Title: Journal of Open Source Software, Vol. 8, no. 90, p. 5570 (2023)

Subject Terms: General Earth and Planetary Sciences, General Environmental Science

Relation: boreal:284301; http://hdl.handle.net/2078.1/284301; urn:ISSN:2475-9066; urn:EISSN:2475-9066

Availability: https://doi.org/10.21105/joss.05570
http://hdl.handle.net/2078.1/284301

Authors: Müller, Sebastian, Sparka, Jan Arne, Kuban, Martin, Draxl, Claudia, Grunske, Lars

Subject Terms: computational materials science, density functional theory, density of states, novel materials discovery, program under test, 004 Informatik

Availability: https://doi.org/10.18452/28316
https://edoc.hu-berlin.de/handle/18452/28965

Authors: Gonzalez Oliva, Ignacio, Maurer, Benedikt, Alex, Ben, Tillack, Sebastian, Schebek, Maximilian, Draxl, Claudia

Subject Terms: dynamics, electronic structure, electron–phonon coupling, excitations, hybrid materials, many-body perturbation theory, 620 Ingenieurwissenschaften und zugeordnete Tätigkeiten

Availability: https://doi.org/10.18452/28308
https://edoc.hu-berlin.de/handle/18452/28958

Authors: Rehermann, Carolin, Mansour, Ahmed, Siegmann, Julian, José A. Márquez Prieto, Victoria, Coors, Aeschlimann, Martin, Baumann, Daniel, Wojas, Adrianna, Unger, Eva, Rudzinski, Joseph, Draxl, Claudia

Subject Terms: NFDI, FAIR, RDM, FDM, materials science

Relation: https://www.fairmat-nfdi.eu/fairmat/outreach-fairmat/materials-fairmat; https://dx.doi.org/10.5281/zenodo.10409051

Availability: https://doi.org/10.5281/zenodo.1040905010.5281/zenodo.10409051

Authors: Meng, Fanchen, Maurer, Benedikt, Peschel, Fabian, Selcuk, Sencer, Hybertsen, Mark, Qu, Xiaohui, Vorwerk, Christian, Draxl, Claudia, Vinson, John, Lu, Deyu

Subject Terms: Materials Science cond-mat.mtrl-sci, FOS Physical sciences

Relation: https://dx.doi.org/10.1103/physrevmaterials.8.013801

Availability: https://doi.org/10.48550/arxiv.2303.1708910.1103/physrevmaterials.8.013801
https://arxiv.org/abs/2303.17089

Authors: Scheidgen, Markus, Himanen, Lauri, Ladines, Alvin Noe, Sikter, David, Nakhaee, Mohammad, Fekete, Ádám, Chang, Theodore, Golparvar, Amir, Márquez, José A., Brockhauser, Sandor, Brückner, Sebastian, Ghiringhelli, Luca M., Dietrich, Felix, Lehmberg, Daniel, Denell, Thea, Albino, Andrea, Näsström, Hampus, Shabih, Sherjeel, Dobener, Florian, Kühbach, Markus, Mozumder, Rubel, Rudzinski, Joseph F., Daelman, Nathan, Pizarro, José M., Kuban, Martin, Salazar, Cuauhtemoc, Ondračka, Pavel, Bungartz, Hans-Joachim, Draxl, Claudia

Subject Terms: materials science, reasearch data management, FAIR data, data repository

Relation: https://zenodo.org/communities/fairmat_nfdi; https://dx.doi.org/10.5281/zenodo.8366163

Availability: https://doi.org/10.5281/zenodo.836616210.5281/zenodo.8366163
https://zenodo.org/record/8366162

Authors: Pela, Ronaldo Rodrigues, Vona, Cecilia, Lubeck, Sven, Alex, Ben, Oliva, Ignacio Gonzalez, Draxl, Claudia

Subject Terms: Materials Science cond-mat.mtrl-sci, Other Condensed Matter cond-mat.other, Chemical Physics physics.chem-ph, FOS Physical sciences

Relation: https://dx.doi.org/10.1038/s41524-024-01253-2

Availability: https://doi.org/10.48550/arxiv.2310.0419810.1038/s41524-024-01253-2
https://arxiv.org/abs/2310.04198

Authors: Kabalan, Lara, Kowalec, Igor, Rigamonti, Santiago, Troppenz, Maria, Draxl, Claudia, Catlow, C Richard, Logsdail, Andrew J

File Description: application/pdf

Relation: https://orca.cardiff.ac.uk/id/eprint/160923/1/pdf.pdf; Kabalan, Lara https://orca.cardiff.ac.uk/view/cardiffauthors/A25225045.html, Kowalec, Igor https://orca.cardiff.ac.uk/view/cardiffauthors/A2139256E.html, Rigamonti, Santiago, Troppenz, Maria, Draxl, Claudia, Catlow, C Richard https://orca.cardiff.ac.uk/view/cardiffauthors/A21900939.html orcid:0000-0002-1341-1541 orcid:0000-0002-1341-1541 and Logsdail, Andrew J https://orca.cardiff.ac.uk/view/cardiffauthors/A2271338K.html orcid:0000-0002-2277-415X orcid:0000-0002-2277-415X 2023. Investigation of the Pd (1− x ) Zn x alloy phase diagram using ab initio modelling approaches. Journal of Physics: Condensed Matter 35 (40) , 405402. 10.1088/1361-648x/ace01a https://doi.org/10.1088/1361-648x%2Face01a file https://orca.cardiff.ac.uk/id/eprint/160923/1/pdf.pdf

Availability: https://doi.org/10.1088/1361-648x/ace01a
https://orca.cardiff.ac.uk/id/eprint/160923/
https://orca.cardiff.ac.uk/id/eprint/160923/1/pdf.pdf

Authors: Mansour, Ahmed E., Rotheray, Lucia, Helbig, Kerstin, Botti, Silvana, Weber, Heiko B., Aeschlimann, Martin, Draxl, Claudia

Superior Title: Proceedings of the Conference on Research Data Infrastructure ; Vol. 1 (2023): 1st Conference on Research Data Infrastructure (CoRDI) - Connecting Communities ; 2941-296X ; 10.52825/cordi.v1i

Subject Terms: Data management plan, Data Life Cycle, FAIR data, NOMAD, Materials Science

File Description: application/pdf

Relation: https://www.tib-op.org/ojs/index.php/CoRDI/article/view/378/574; https://www.tib-op.org/ojs/index.php/CoRDI/article/view/378

Availability: https://doi.org/10.52825/cordi.v1i
https://www.tib-op.org/ojs/index.php/CoRDI/article/view/378

Authors: Scheidgen, Markus, Brückner, Sebastian, Brockhauser, Sandor, Ghiringhelli, Luca M., Dietrich, Felix, Mansour, Ahmed E., Márquez, José A., Albrecht, Martin, Weber, Heiko B., Botti, Silvana, Aeschlimann, Martin, Draxl, Claudia

Superior Title: Proceedings of the Conference on Research Data Infrastructure ; Vol. 1 (2023): 1st Conference on Research Data Infrastructure (CoRDI) - Connecting Communities ; 2941-296X ; 10.52825/cordi.v1i

Subject Terms: Materials Science, Research Data Management, Metadata, FAIR data, electronic lab notebook

File Description: application/pdf

Relation: https://www.tib-op.org/ojs/index.php/CoRDI/article/view/376/493; https://www.tib-op.org/ojs/index.php/CoRDI/article/view/376

Availability: https://doi.org/10.52825/cordi.v1i
https://www.tib-op.org/ojs/index.php/CoRDI/article/view/376

Authors: Pela, Ronaldo Rodrigues, Vona, Cecilia, Lubeck, Sven, Alex, Ben, Oliva, Ignacio Gonzalez, Draxl, Claudia

Subject Terms: Condensed Matter - Materials Science, Condensed Matter - Other Condensed Matter, Physics - Chemical Physics

Relation: http://arxiv.org/abs/2310.04198

Availability: http://arxiv.org/abs/2310.04198

Authors: Bechtel, Tim, Speckhard, Daniel T., Godwin, Jonathan, Draxl, Claudia

Subject Terms: Physics - Computational Physics, Computer Science - Machine Learning

Relation: http://arxiv.org/abs/2309.06348

Availability: http://arxiv.org/abs/2309.06348