Welcome to my scientific home page. Browse this page to find by a link to my publications, CV, scientific interests and the scientific software tools that I developed. Please contact me me for collaborations, questions, support or just a brief chat. I am eager for any of them.
My research activities focus on the understanding of the physical properties of novel low- dimensional and bulk materials by means of theory and simulations. This interdisciplinary work merges different aspects from traditional disciplines like physics, chemistry and materials science and it involves close collaboration with experimentally working partners.
The scope of specific projects ranges from basic to applied research.
In the past, I worked on:
Electronic, structural and optical properties of mono and heterostructures of transition metal dichalcogenides.
Structural, electronic, vibrational, mechanical and charge transport properties of boron nanotubes and boron sheets .
Edge magnetism and doping of graphene; defects and growth of carbon nanotubes.
Sensor device modeling and simulation of Raman spectra
of silicon nanowires.
High-pressure phase diagram, superconductivity and structure of boron bulk phases.
xsfConvert is a modular code that converts the output of different ab initio programs into the xsf-format. This is the file format of the program XCrysDen, a powerful and easy to use visualization tool.
At present xsfConvert consists of two command line tools v2xsf and lm2xsf that handle the output of VASP and TB-LMTO-ASA, respectively.
Jens Kunstmann • ✉