Outi Vilhelmiina Kontkanen

Biography

General.
In my work, I have specialized in physical/theoretical chemistry and molecular modeling. I am motivated to understand the mechanisms behind charge transfer reactions and electronic interactions. Additionally, I enjoy programming and creating tools to calculate chemical processes related to these interests. I believe that machine learning has great potential in solving the most challenging computational problems, as electronic interactions tend to be computationally intensive to calculate in detail.

Work and experience.
Currently, I am helping to build tools to reparameterize semiempirical approaches for non-covalent interactions. In the past, I investigated different charge transport properties in metalloproteins (postdoc) and how dye-sensitized molecules interact with semiconductor surfaces (PhD work). In the first project, I primarily used QM/MM tools while benchmarking alternative approaches (Perturbed Matrix Method). My PhD work exclusively employed DFT approaches, which is my strongest area of expertise.

Additional skills.
I started programming (Python3) out of curiosity. Currently, I use my programming knowledge while continually learning and honing my skills. In the past, I have attended courses that covered C++, MPI, OpenMP, and HPC programming.
I have developed project management and interpersonal skills through both voluntary work and studying abroad. I have worked with a diverse range of specialists, including experimentalists, within the research projects. In my free time, I organized courses in leadership (currently on a break).