Publications of Christoph Scherer
All genres
Journal Article (8)
Journal Article
10, 982757 (2022)
Benchmarking coarse-grained models of organic semiconductors via deep backmapping. Frontiers in Chemistry
Journal Article
33 (25), 254002 (2021)
Ultra-coarse-graining of homopolymers in inhomogeneous systems. Journal of Physics: Condensed Matter
Journal Article
11 (1), 7938 (2021)
Computing inelastic neutron scattering spectra from molecular dynamics trajectories. Scientific Reports
Journal Article
16 (5), pp. 3194 - 3204 (2020)
Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids. Journal of Chemical Theory and Computation
Journal Article
159, pp. 73 - 85 (2019)
Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations. Computational Materials Science
Journal Article
20 (34), pp. 22387 - 22394 (2018)
Understanding three-body contributions to coarse-grained force fields. Physical Chemistry Chemical Physics
Journal Article
468, pp. 82 - 91 (2017)
Negative thermal expansion of quartz glass at low temperatures: An ab initio simulation study. Journal of Non-Crystalline Solids
Journal Article
225 (8-9), pp. 1441 - 1461 (2016)
Comparison of systematic coarse-graining strategies for soluble conjugated polymers. European Physical Journal - Special Topics