Johannes Dietschreit|Johannes C. B. Dietschreit

Johannes Dietschreit|Johannes C. B. Dietschreit

Universität Wien - Vienna / Austria
Others
AD Scientific Index ID: 5972030
University of Vienna
person_outline Johannes Dietschreit|Johannes C. B. Dietschreit's MOST POPULAR ARTICLES
1-) Finding reactive configurations: a machine learning approach for estimating energy barriers applied to Sirtuin 5B von der Esch, JCB Dietschreit, LDM Peters, C OchsenfeldJournal of Chemical Theory and Computation 15 (12), 6660-6667, 2019252019
2-) Learning pair potentials using differentiable simulationsW Wang, Z Wu, JCB Dietschreit, R Gómez-BombarelliThe Journal of Chemical Physics 158 (4), 2023242023
3-) Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensemblesAR Tan, S Urata, S Goldman, JCB Dietschreit, R Gómez-Bombarellinpj Computational Materials 9 (1), 225, 2023232023
4-) Why proline? Influence of ring-size on the collagen triple helixJ Egli, T Schnitzer, JCB Dietschreit, C Ochsenfeld, H WennemersOrganic letters 22 (2), 348-351, 2019222019
5-) Calculating free energies from the vibrational density of states function: Validation and critical assessmentLDM Peters, JCB Dietschreit, J Kussmann, C OchsenfeldThe Journal of Chemical Physics 150 (19), 2019192019