Welcome to my webpage! My name is Simon, I am a postdoc researching instanton theory (see e.g. here) in the group of Jeremy Richardson at ETH Zürich. In addition to my inclination towards theoretical physics, I have a passion for tutoring and teaching.

Find me on Linkedin, Google Scholar and ORCID.

CV

• Postdoc at ETH Zürich in group of Jeremy Richardson (since 01/2025)
• PhD at TU Berlin in Toronto-based group of Anatole von Lilienfeld, started at University of Vienna (01/2021 - 07/2022), continued in Berlin (08/2022 - 12/2024)
• M.Sc. in physics at University of Bonn, 04/2018 - 08/2020
• B.Sc. in physics at University of Bonn, 09/2013 - 08/2017

Scientific Publications

• Shiraogawa, T., Krug, S.L., Ehara, M., von Lilienfeld, O.A. Antisymmetry rules of response properties in certain chemical spaces, arXiv (2025), in submission
• Chacko, J.T., Baru, V., Hanhart, C., and Krug, S.L. Two-pion exchange for coupled-channel scattering of two heavy mesons, Phys. Rev. D 111, 034042 (2025)
• Krug, S.L., Khan, D., and von Lilienfeld, O.A. Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for Δ-machine learning, J. Chem. Phys. 162, 044101 (2025)
• Krug, S.L., and von Lilienfeld, O.A. The alchemical integral transform revisited, J. Chem. Phys. 162, 014110 (2025)
• Krug, S.L., and von Lilienfeld, O.A. Alchemical insights into approximately quadratic energies of iso-electronic atoms, J. Chem. Phys. 161, 164308 (2024)
• Krug, S.L., von Rudorff, G.F., and von Lilienfeld, O.A. Relative energies without electronic perturbations via Alchemical Integral Transform. J. Chem. Phys. 157, 164109 (2022)
• Krug, S.L., and Hanhart, C. The Complete Next-to-Leading Order Potential of B(*)Bbar(*) -> B(*)Bbar(*). Bull. Lebedev Phys. Inst. 47 (11), 334–338 (2020)
• Creator and maintainer of Python package PyAlchemy, available on GitHub and PyPI

Summer Schools, Conferences, Posters, Talks, Interviews, …

• Interview for the researcher spotlight at BIFOLD
• Participant (with poster) at Chemical Compound Space Conference 2024 in Heidelberg, 05/2024
• Participant (with poster) at Workshop on Machine Learning and Reactive Processes in Berlin, 12/2023
• Participant at the Summer School “Introduction to tools and methods of Artificial Intelligence 2023” in Budapest (Eötvös Loránd University), 07/2023
• Participant (with poster) at the Summer School “2D Quantum Matter” in Lucca (University of Pisa), 07/2023
• Participant at the Summer School “Foundations of Machine Learning 2023” in Amsterdam (Tinbergen Institute), 07/2023
• Participant and Student Speaker at the Moscow International School of Physics 2020 in Moscow, 03/2020

Tutoring

• Lecture: Chemistry for Computational Scientists, SS 2025
• Lecture: Analysis for Physicists, WS 2021/22, University of Vienna
• Lecture: Theoretical Mechanics, SS 2020, University of Bonn
• Lecture: Statistical Physics and Thermodynamics, WS 2019/20, University of Bonn
• Lecture: Mathematics II, SS 2019, University of Bonn
• Optics Laboratory Course for Physicists, WS 2018/19, University of Bonn
• Lecture: Theoretical Electrodynamics, WS 2018/19, University of Bonn
• Lecture: Physics II for Non-physicists, SS 2017, University of Bonn
• Laboratory Course for Non-physicists, SS 2016, University of Bonn
• Lecture: Optics, WS 2015/16, University of Bonn
• Preparational Lecture: Mathematics, 09/2014, University of Bonn