Quantum chemical study of the band structure
and the chemical bonding in crystals. Definition of atomic valency.
Description of insulating properties of transition metal compounds. Crystal surfaces and interface solid-solution.
For more information look at Curriculum Vitae, or list of publications and posters and presentations.
My page on Google scholar
Current Research projects
- Crystal structure of C-S-H nanoparticals (collaboration with A.Nonat)
- New geometry optimization code (collaboration with J. Boström)
- eXtra small basis set for relativistic calculations (callaboration with P-O Widmark)
- Formation of C-S-H (collaboration with B. Jonsson)
- Parallelization of MOLCAS code
- Developing GUI for MOLCAS