Electronic Structure Calculations for Si Anodes in Li Ion Batteries
Silicon (Si) is one of the most attractive anode materials of Li-ion batteries [1, 2]. However, despite high specific ...
Ingenieurwissenschaften
Materialwissenschaft
Related Projects as Project Manager
Related Projects as Principal Investigator
Machine-Learning Models and Potentials for Various Systems
The simulation of materials on the atomistic scale requires a description of interatomic interactions. Quantum ...
Engineering SciencesMaterials Science
Atomistic Modelling of MAX and MXenes
Layered ternary compounds, known as MAX phases, represent a growing family of materials [1]. They are denoted by a ...
IngenieurwissenschaftenWerkstofftechnikMaterialwissenschaft-
Atomistic Modelling of MAX and MXenes
Layered ternary compounds, known as MAX phases, represent a growing family of materials [1]. They are denoted by a ...
Engineering SciencesMaterials EngineeringMaterials Science 
Interatomic Potentials for Amorphous Solids From Second Principles
Metallic glasses (MGs) can be produced by quickly quenching alloy melts. They typically show a higher elastic limit and ...
IngenieurwissenschaftenMaterialwissenschaft
Testing and Development of Methods for the Calculation of Phase Diagrams of Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
First-Principles Calculations on Grain Boundaries in Nanocrystalline Graphene
The modification of intrinsic properties of graphene via defects, such as grain boundaries, has been an intense field of ...
NaturwissenschaftenPhysik der kondensierten Materie
Related Projects as Researcher
Interatomic Potentials for Li-Si-O and Si-O-C
To understand and study complex materials at the atomic level, it is essential to be able to calculate forces and ...
IngenieurwissenschaftenMaterialwissenschaft
A Machine-Learning Interatomic Potential for the Si-O System
Nowadays, atomistic simulations are becoming more and more important. Due to the increasing availability of ...
IngenieurwissenschaftenMaterialwissenschaft
