Christoph Scherer

I joined the theory group at the Max Planck Institute for Polymer Research as a postdoctoral fellow in February 2015.

My position is funded by the collaborative research center TRR 146: Multiscale Simulation Methods for Soft Matter Systems. Within the TRR 146, I work on many-body effects and optimized mapping schemes for systematic coarse-graining. My current research focusses on the extension of existing coarse graining schemes to include 3-body nonbonded interactions and the implementation in the coarse graining toolkit VOTCA-CSG.

I obtained my PhD at Johannes Gutenberg-University Mainz in the Condensed Matter Theory Group group KOMET 331, supervised by Prof. Friederike Schmid in 2015 in collaboration with the SCHOTT AG in Mainz. In my PhD, I focussed on classical and ab initio molecular dynamics simulations of silicate and borate glasses and melts. During my studies, I received a Diploma in Physics (Dipl.-Phys.) from Johannes Gutenberg-University in Mainz (2010) and a B.Sc. with Honours from the University of Canterbury in Christchurch, New Zealand in 2007.

Published in the group


Ultra-Coarse-Graining of Homopolymers in Inhomogeneous Systems
F. Berressem, C. Scherer, D. Andrienko, A. Nikoubashman
submitted, 2021,

Computing Inelastic Neutron Scattering Spectra from Molecular Dynamics Trajectories
T. Harrelson, M. Dettmann, C. Scherer, D. Andrienko, A. Moule, R. Faller
submitted, 2021,


[pdf] Kernel-based machine learning for efficient simulations of molecular liquids
C. Scherer, R. Scheid, D. Andrienko, T. Bereau
J. Chem. Theory Comput., 16, 3194-3204, 2020, [doi] [abstract]


[pdf] Understanding three-body contributions to coarse-grained force-fields
C. Scherer, D. Andrienko
Phys. Chem. Chem. Phys., 20, 22387-22394, 2018, [doi] [abstract]


[pdf] Comparison of systematic coarse-graining strategies for soluble conjugated polymers
C. Scherer, D. Andrienko
Eur. Phys. J. Spec. Top., 225, 1441-1461, 2016, [doi] [abstract]