Outreach¶
Conferences¶
DPG-Spring Meeting 2025: Beyond Ion Dynamics: Efficient Charge Transport Simulations including Polarons at Battery Scales
Teaching¶
Atomistic Modeling and Simulation in Materials Science (11.2022 – 02.2023)
Exercise class for graduate course Materials Science and Simulation. Topics include Empirical and semi-empirical potentials for ionic, covalent and metallic materials. Thermodynamic ensembles, Molecular dynamics and Monte Carlo methods, including calculation of the various observables.
Quantum Mechanics in Materials Science (09.2019 – 01.2020)
Exercise class for graduate course Materials Science and Simulation. Topics include Schrödinger equation, Many electron problem, Hartree/Hartree-Fock, Density-Functional Theory, Overview of basis sets, plane waves vs local orbitals, pseudopotentials, and tight-binding approximation.
Introduction to Modeling of Materials (01.2019)
Tutorials as part of the materials modelling module for bachelor students. Topics convered included molecular dynamics simulations using LAMMPS to calculate properties such as cohesive energy, stress, radial distribution function, and specific heat.
Introduction to Modeling of Materials (01.2018)
Tutorials as part of the materials modelling module for bachelor students. Topics convered included molecular dynamics simulations using LAMMPS to calculate properties such as cohesive energy, stress, radial distribution function, and specific heat.