Publications of Christoph Scherer

Scherer, C.; Kinaret, N.; Lin, K.-H.; Qaisrani, M. N.; Post, F.; May, F.; Andrienko, D.: Predicting Molecular Ordering in Deposited Molecular Films. Advanced Energy Materials 14 (44), 2403124 (2024)

Stieffenhofer, M.; Scherer, C.; May, F.; Bereau, T.; Andrienko, D.: Benchmarking coarse-grained models of organic semiconductors via deep backmapping. Frontiers in Chemistry 10, 982757 (2022)

Berressem, F.; Scherer, C.; Andrienko, D.; Nikoubashman, A.: Ultra-coarse-graining of homopolymers in inhomogeneous systems. Journal of Physics: Condensed Matter 33 (25), 254002 (2021)

Harrelson, T. F.; Dettmann, M.; Scherer, C.; Andrienko, D.; Moule, A. J.; Faller, R.: Computing inelastic neutron scattering spectra from molecular dynamics trajectories. Scientific Reports 11 (1), 7938 (2021)

Scherer, C.; Scheid, R.; Andrienko, D.; Bereau, T.: Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids. Journal of Chemical Theory and Computation 16 (5), pp. 3194 - 3204 (2020)

Scherer, C.; Schmid, F.; Letz, M.; Horbach, J.: Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations. Computational Materials Science 159, pp. 73 - 85 (2019)

Scherer, C.; Andrienko, D.: Understanding three-body contributions to coarse-grained force fields. Physical Chemistry Chemical Physics 20 (34), pp. 22387 - 22394 (2018)

Scherer, C.; Horbach, J.; Schmid, F.; Letz, M.: Negative thermal expansion of quartz glass at low temperatures: An ab initio simulation study. Journal of Non-Crystalline Solids 468, pp. 82 - 91 (2017)

Scherer, C.; Andrienko, D.: Comparison of systematic coarse-graining strategies for soluble conjugated polymers. European Physical Journal - Special Topics 225 (8-9), pp. 1441 - 1461 (2016)