Publications of Carsten Baldauf

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Supady, A., M. Scheffler and C. Baldauf:

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Baldauf, C., F. Schubert, K. Pagel, S. Warnke, M. Rossi, M. Salwiczek, B. Koksch, G.von Helden and V. Blum:

Hu, X.: Metal Cations in Protein Force Fields: From Data Set Creation and Benchmarks to Polarizable Force Field Implementation and Adjustment. Freie Universität Berlin

Baldauf, C.: Biomolecular Simulations - From mechanics of a blood protein to peptides in isolation to molecular structure sampling. Freie Universität Berlin

Schneider, M. and C. Baldauf: Relative energetics of acetyl-histidine protomers with and without Zn²⁺ and a benchmark of energy methods., in press.

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