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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: scheffler m. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 Free PMC article.
How cations change peptide structure.
Baldauf C, Pagel K, Warnke S, von Helden G, Koksch B, Blum V, Scheffler M. Baldauf C, et al. Among authors: scheffler m. Chemistry. 2013 Aug 19;19(34):11224-34. doi: 10.1002/chem.201204554. Epub 2013 Jul 12. Chemistry. 2013. PMID: 23853047
Big data of materials science: critical role of the descriptor.
Ghiringhelli LM, Vybiral J, Levchenko SV, Draxl C, Scheffler M. Ghiringhelli LM, et al. Among authors: scheffler m. Phys Rev Lett. 2015 Mar 13;114(10):105503. doi: 10.1103/PhysRevLett.114.105503. Epub 2015 Mar 10. Phys Rev Lett. 2015. PMID: 25815947
Evidence for photogenerated intermediate hole polarons in ZnO.
Sezen H, Shang H, Bebensee F, Yang C, Buchholz M, Nefedov A, Heissler S, Carbogno C, Scheffler M, Rinke P, Wöll C. Sezen H, et al. Among authors: scheffler m. Nat Commun. 2015 Apr 22;6:6901. doi: 10.1038/ncomms7901. Nat Commun. 2015. PMID: 25902307 Free article.
425 results