PhD candidate
Research group | Hylleraas Centre for Quantum Molecular Sciences RT1/RT4
Main supervisor | Erik Ingemar Tellgren
Co-supervisors | Trygve Helgaker
Affiliation | Department of Chemistry, UiO
Contact | o.m.bohle@kjemi.uio.no
Short bio
I obtained my masters in Physics from the University of Dundee, pursuing areas of condensed matter, statistical and computational physics . I became interested in computational methods to solving problems and research questions. The area of my masters thesis was in Computational Biology, looking at the interactions between a member of the Interleukin family of proteins with its receptors.
Currently, I am a PhD student in the field of theoretical and computational quantum chemistry.
Research interests and hobbies
My main research interests are looking into enhancing the full potential of Density-functional theory by developing new approaches in calculating the kinetic energy of electronic systems.
In my free time, I enjoy cross country skiing and cycling in the forest and the hills. I also like to go kayaking.
CompSci project
Machine learning of orbital-free kinetic energy density-functionals
Density-functional theory is a well established approach to simulating quantum mechanical systems. Instead of calculating energies from the many body wave function, it rather calculates them via the density of the system. This method strikes a good balance between computational efficiency and accurate results. But, these acceptable results are achieved by reintroducing a non-interacting wave function into the calculations, this increases the computational complexity. Hence it is desirable to produce a method that avoids the use of this reintroduced wave function. Functionals that do not depend upon this wave function are called orbital-free density functionals. It is these functionals that I am interested in developing.
Publications
CompSci publications
None yet.
Previous publications
None.
