Publications of Maja-Olivia Lenz

Hu, X.; Lenz, M.-O.; Baldauf, C.: Better force fields start with better data: A data set of cation dipeptide interactions. Scientific Data 9, 327 (2022)

Lenz, M.-O.; Purcell, T.; Hicks, D.; Curtarolo, S.; Scheffler, M.; Carbogno, C.: Parametrically constrained geometry relaxations for high-throughput materials science. npj Computational Materials 5, 123 (2019)

Lenz-Himmer, M.-O.; Scheffler, M.: Towards efficient novel materials discovery: Acceleration of high-throughput calculations and semantic management of big data using ontologies. Dissertation, Humboldt-Universität, Berlin (2022)

Ghiringhelli, L. M.; Baldauf, C.; Bereau, T.; Brockhauser, S.; Carbogno, C.; Chamanara, J.; Cozzini, S.; Curtarolo, S.; Draxl, C.; Dwaraknath, S. et al.; Fekete, Á.; Kermode, J.; Koch, C. T.; Kühbach, M.; Ladines, A. N.; Lambrix, P.; Himmer, M.-O. L.; Levchenko, S. V.; Oliveira, M.; Michalchuk, A.; Miller, R.; Onat, B.; Pavone, P.; Pizzi, G.; Regler, B.; Rignanese, G.-M.; Schaarschmidt, J.; Scheidgen, M.; Schneidewind, A.; Sheveleva, T.; Su, C.; Usvyat, D.; Valsson, O.; Wöll, C.; Scheffler, M.: Shared Metadata for Data-Centric Materials Science. Scientific Data 10, 626 (2023)