Marc Lehner
Software Engineer at KNIME
Zurich, Zurich, Switzerland
Summary
👤
Senior🎓
Top SchoolMarc Lehner is a software engineer and computational scientist with eight years of experience bridging molecular simulation research and production software. He completed a PhD in Computational Chemistry at ETH Zürich after a progression from interdisciplinary physics and science degrees, and has hands-on expertise in molecular dynamics, reaction-field corrections, and tooling for GROMOS. Currently at KNIME, he brings research-grade numerical modeling and simulation workflow knowledge into engineering teams, pairing scientific rigor with practical software delivery. Active on GitHub and in the Riniker lab, he combines deep domain specialization with a taste for contributing reproducible, open computational workflows that accelerate simulation-driven discovery.
8 years of coding experience
Doctor of Philosophy - PhD Computational Chemistry, Doctor of Philosophy - PhD Computational Chemistry at ETH Zürich
German, English, French
Github Skills (16)
simulations10
simulation10
rdkit10
api10
computational-chemistry10
wrapper10
python9
molecular-simulation9
spectrum5
sampling5
symbolic-math5
energy4
jupyter4
visualization3
modeling3
Programming languages (3)
Github contributions (5)
MTLehner/pyDR
Apr 2022 - Nov 2023
pyDIFRATE with graphical user interface
Contributions:2 PRs, 22 pushes, 3 branches in 1 year 7 months
netmikouser-interfacepython310pythongraphical-user-interface
rinikerlab/DASH-tree
May 2023 - Feb 2025
Partial Charge assignment for Molecular Dynamics
Contributions:3 releases, 5 reviews, 23 PRs in 1 year 9 months
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