Welcome to my webpage! My name is Simon, I am a fourth-year PhD student researching method development in quantum alchemy, an interdisciplinary field between computational chemistry, materials science and theoretical physics. In addition to my inclination towards theoretical physics, I have a passion for tutoring and teaching.

Find me on Linkedin, Google Scholar, ORCID and Twitter.

CV

• PhD student @ TU Berlin in Toronto-based group of Anatole von Lilienfeld, started @ University of Vienna (01/2021 - 07/2022), continued in Berlin (since 08/2022)
• M.Sc. in physics @ University of Bonn, 04/2018 - 08/2020
• B.Sc. in physics @ University of Bonn, 09/2013 - 08/2017

Scientific Publications

• Krug, S.L., and von Lilienfeld, O.A. Energies of atoms are approximately quadratic in nuclear charge, arXiv (2024), in submission
• Krug, S.L., and von Lilienfeld, O.A. The Generalized Alchemical Integral Transform, arXiv (2024), in submission
• 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, …

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