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Shared metadata for data-centric materials science.
Ghiringhelli LM, Baldauf C, Bereau T, Brockhauser S, Carbogno C, Chamanara J, Cozzini S, Curtarolo S, Draxl C, Dwaraknath S, Fekete Á, Kermode J, Koch CT, Kühbach M, Ladines AN, Lambrix P, Himmer MO, Levchenko SV, Oliveira M, Michalchuk A, Miller RE, Onat B, Pavone P, Pizzi G, Regler B, Rignanese GM, Schaarschmidt J, Scheidgen M, Schneidewind A, Sheveleva T, Su C, Usvyat D, Valsson O, Wöll C, Scheffler M. Ghiringhelli LM, et al. Among authors: pizzi g. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 Free PMC article.
Materials Cloud, a platform for open computational science.
Talirz L, Kumbhar S, Passaro E, Yakutovich AV, Granata V, Gargiulo F, Borelli M, Uhrin M, Huber SP, Zoupanos S, Adorf CS, Andersen CW, Schütt O, Pignedoli CA, Passerone D, VandeVondele J, Schulthess TC, Smit B, Pizzi G, Marzari N. Talirz L, et al. Among authors: pizzi g. Sci Data. 2020 Sep 8;7(1):299. doi: 10.1038/s41597-020-00637-5. Sci Data. 2020. PMID: 32901046 Free PMC article.
OPTIMADE, an API for exchanging materials data.
Andersen CW, Armiento R, Blokhin E, Conduit GJ, Dwaraknath S, Evans ML, Fekete Á, Gopakumar A, Gražulis S, Merkys A, Mohamed F, Oses C, Pizzi G, Rignanese GM, Scheidgen M, Talirz L, Toher C, Winston D, Aversa R, Choudhary K, Colinet P, Curtarolo S, Di Stefano D, Draxl C, Er S, Esters M, Fornari M, Giantomassi M, Govoni M, Hautier G, Hegde V, Horton MK, Huck P, Huhs G, Hummelshøj J, Kariryaa A, Kozinsky B, Kumbhar S, Liu M, Marzari N, Morris AJ, Mostofi AA, Persson KA, Petretto G, Purcell T, Ricci F, Rose F, Scheffler M, Speckhard D, Uhrin M, Vaitkus A, Villars P, Waroquiers D, Wolverton C, Wu M, Yang X. Andersen CW, et al. Among authors: pizzi g. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.
Huber SP, Zoupanos S, Uhrin M, Talirz L, Kahle L, Häuselmann R, Gresch D, Müller T, Yakutovich AV, Andersen CW, Ramirez FF, Adorf CS, Gargiulo F, Kumbhar S, Passaro E, Johnston C, Merkys A, Cepellotti A, Mounet N, Marzari N, Kozinsky B, Pizzi G. Huber SP, et al. Among authors: pizzi g. Sci Data. 2020 Sep 8;7(1):300. doi: 10.1038/s41597-020-00638-4. Sci Data. 2020. PMID: 32901044 Free PMC article.
Valley-Engineering Mobilities in Two-Dimensional Materials.
Sohier T, Gibertini M, Campi D, Pizzi G, Marzari N. Sohier T, et al. Among authors: pizzi g. Nano Lett. 2019 Jun 12;19(6):3723-3729. doi: 10.1021/acs.nanolett.9b00865. Epub 2019 May 16. Nano Lett. 2019. PMID: 31083949
Expansion of the Materials Cloud 2D Database.
Campi D, Mounet N, Gibertini M, Pizzi G, Marzari N. Campi D, et al. Among authors: pizzi g. ACS Nano. 2023 Jun 27;17(12):11268-11278. doi: 10.1021/acsnano.2c11510. Epub 2023 Jun 13. ACS Nano. 2023. PMID: 37310789 Free PMC article.
Shear and Breathing Modes of Layered Materials.
Pizzi G, Milana S, Ferrari AC, Marzari N, Gibertini M. Pizzi G, et al. ACS Nano. 2021 Aug 24;15(8):12509-12534. doi: 10.1021/acsnano.0c10672. Epub 2021 Aug 9. ACS Nano. 2021. PMID: 34370440 Free PMC article. Review.
Wannier90 as a community code: new features and applications.
Pizzi G, Vitale V, Arita R, Blügel S, Freimuth F, Géranton G, Gibertini M, Gresch D, Johnson C, Koretsune T, Ibañez-Azpiroz J, Lee H, Lihm JM, Marchand D, Marrazzo A, Mokrousov Y, Mustafa JI, Nohara Y, Nomura Y, Paulatto L, Poncé S, Ponweiser T, Qiao J, Thöle F, Tsirkin SS, Wierzbowska M, Marzari N, Vanderbilt D, Souza I, Mostofi AA, Yates JR. Pizzi G, et al. J Phys Condens Matter. 2020 Apr 17;32(16):165902. doi: 10.1088/1361-648X/ab51ff. J Phys Condens Matter. 2020. PMID: 31658458 Free article.
112 results