Roadmap on Data-Centric Materials Science

Bauer, Stefan; Benner, Peter; Bereau, Tristan; Blum, Volker; Boley, Mario; Carbogno, Christian; A. Catlow, C. Richard; Dehm, Gerhard; Eibl, Sebastian; Ernstorfer, Ralph; Fekete, Ádám; Foppa, Lucas; Fratzl, Peter; Freysoldt, Christoph; Gault, Baptiste; M. Ghiringhelli, Luca; Sajal, K. Giri; Gladyshev, Anton; Goyal, Pawan Kumar; Hattrick-Simpers, Jason; Kabalan, Lara; Karpov, Petr; S. Khorrami, Mohammad; Koch, Christoph; Kokott, Sebastian; Kosch, Thomas; Kowalec, Igor; Kremer, Kurt; Leitherer, Andreas; Li, Yue; Liebscher, Christian H.; Logsdail, Andrew J.; Lu, Zhongwei; Luong, Felix; Marek, Andreas; Merz, Florian; R. Mianroodi, Jaber; Neugebauer, Jörg; Purcell, Thomas A. R.; Raabe, Dierk; Rampp, Markus; Rossi, Mariana; Rost, Jan-Michael; Saalmann, Ulf; Saxena, Alaukik; Sbailo, Luigi; Scheffler, Matthias; Scheidgen, Markus; Schloz, Marcel; Schmidt, Daniel F.; Teshuva, Simon; Trunschke, Annette; Wei, Ye; Weikum, Gerhard; Xian, R. Patrick; Yao, Yi; Zhao, Meng

doi:10.26434/chemrxiv-2024-m9sk0

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Roadmap on Data-Centric Materials Science

Bauer, S., Benner, P., Bereau, T., Blum, V., Boley, M., Carbogno, C., et al. (in preparation). Roadmap on Data-Centric Materials Science.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000E-6BC1-0 Version Permalink: https://hdl.handle.net/21.11116/0000-000E-7C13-2

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https://arxiv.org/abs/2402.10932 (Preprint) Open Access status unknown

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Creators:
Bauer, Stefan¹, Author
Benner, Peter², Author
Bereau, Tristan³, Author
Blum, Volker⁴, Author
Boley, Mario⁵, Author
Carbogno, Christian⁶, Author
A. Catlow, C. Richard⁷, Author
Dehm, Gerhard⁸, Author
Eibl, Sebastian⁹, Author
Ernstorfer, Ralph¹⁰, Author
Fekete, Ádám¹¹, Author
Foppa, Lucas⁶, Author
Fratzl, Peter¹², Author
Freysoldt, Christoph⁸, Author
Gault, Baptiste^{8, 13}, Author
M. Ghiringhelli, Luca^{6, 14}, Author
Sajal, K. Giri¹⁵, Author
Gladyshev, Anton¹⁶, Author
Goyal, Pawan Kumar², Author
Hattrick-Simpers, Jason¹⁷, Author
Kabalan, Lara^{7, 18}, AuthorKarpov, Petr⁹, AuthorS. Khorrami, Mohammad⁸, AuthorKoch, Christoph¹⁶, AuthorKokott, Sebastian^{6, 19}, AuthorKosch, Thomas²⁰, AuthorKowalec, Igor⁷, AuthorKremer, Kurt²¹, AuthorLeitherer, Andreas^{6, 22}, AuthorLi, Yue⁸, AuthorLiebscher, Christian H.⁸, AuthorLogsdail, Andrew J.⁷, AuthorLu, Zhongwei⁷, AuthorLuong, Felix⁵, AuthorMarek, Andreas⁹, AuthorMerz, Florian²³, AuthorR. Mianroodi, Jaber⁸, AuthorNeugebauer, Jörg⁸, AuthorPurcell, Thomas A. R.^{6, 24}, AuthorRaabe, Dierk⁸, AuthorRampp, Markus⁹, AuthorRossi, Mariana²⁵, AuthorRost, Jan-Michael²⁶, AuthorSaalmann, Ulf²⁶, AuthorSaxena, Alaukik⁸, AuthorSbailo, Luigi¹¹, AuthorScheffler, Matthias⁶, AuthorScheidgen, Markus¹¹, AuthorSchloz, Marcel¹⁶, AuthorSchmidt, Daniel F.⁵, AuthorTeshuva, Simon⁵, AuthorTrunschke, Annette²⁷, AuthorWei, Ye²⁸, AuthorWeikum, Gerhard²⁹, AuthorXian, R. Patrick³⁰, AuthorYao, Yi⁶, AuthorZhao, Meng¹⁶, Author more..

Affiliations:
1Technical University of Munich & Helmholtz AI, ou_persistent22
2Computational Methods in Systems and Control Theory, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society, ou_1738141
3Heidelberg University, ou_persistent22
4Duke University, ou_persistent22
5Monash University, ou_persistent22
6The NOMAD Laboratory at the FHI of the Max-Planck-Gesellschaft and IRIS-Adlershof of the Humboldt- Universität zu Berlin, ou_persistent22
7Max Planck Centre on the Fundamentals of Heterogeneous Catalysis (FUNCAT), School of Chemistry, Cardiff University, ou_persistent22
8Max-Planck-Institut für Eisenforschung GmbH, ou_persistent22
9Max Planck Computing and Data Facility, ou_persistent22
10TU Berlin, ou_persistent22
11Humboldt Universität zu Berlin, ou_persistent22
12Max Planck Institute of Colloids and Interfaces, ou_persistent22
13Imperial College, London, ou_persistent22
14Friedrich-Alexander Universität Erlangen-Nürnberg, ou_persistent22
15Northwestern University, Illinois, USA, ou_persistent22
16Humboldt-Universität zu Berlin, ou_persistent22
17University of Toronto, ou_persistent22
18STFC Hartree Centre, Daresbury Laboratory, Daresbury, Warrington, UK, ou_persistent22
19Molecular Simulations from First Principles e.V., Berlin, ou_persistent22
20Humboldt-Universität zu Berlin, Department of Computer Science, ou_persistent22
21Max Planck Institute for Polymer Research, ou_persistent22
22ICFO-Institut de Ciencies Fotoniques, The Barcelona Institute of Science and Technology, Castelldefels (Barcelona), Spain, ou_persistent22
23Lenovo HPC Innovation Center, Stuttgart, ou_persistent22
24University of Arizona, ou_persistent22
25Max Planck Institute for the Structure and Dynamics of Matter, ou_persistent22
26Max Planck Institute for the Physics of Complex Systems, ou_persistent22
27Fritz-Haber-Institut der Max-Planck-Gesellschaft, ou_persistent22
28EPFL, ou_persistent22
29Max Planck Institute for Informatics, ou_persistent22
30Department of Statistical Sciences, University of Toronto, ou_persistent22

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Dates: Created: 2024

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Identifiers: DOI: 10.26434/chemrxiv-2024-m9sk0
DOI: 10.48550/arXiv.2402.10932

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Title: submitted to Modelling Simul. Mater. Sci. Eng.

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