Publications of Maja-Olivia Lenz

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

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

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