Thesis supervisor: Gábor Csonka
Location of studies (in Hungarian): BME Szervetlen és Analitikai Kémia Tanszék Abbreviation of location of studies: BME
Description of the research topic:
Application of the density functional theory to calculate the conformational space and the energy hypersurface of larger biomolecules like oligo saccharides, glycopeptides, DNA, RNA model compounds. We focus ont he proper description of the weak intra- and itermolecular interactions. These results are useful in pharmaceutical chemistry and molecular biology apllications. The proposed work requires good mathematical and computational skills and good understanding of electron density functional theory (e.g. LSDA, GGA. meta-GGA, hyper-GGA and RPA) and computational basis sets (DZ, TZ, QZ, diffuse).
Number of students who can be accepted: 1
Deadline for application: 2020-12-10
2024. IV. 17. ODT ülés Az ODT következő ülésére 2024. június 14-én, pénteken 10.00 órakor kerül sor a Semmelweis Egyetem Szenátusi termében (Bp. Üllői út 26. I. emelet).
Login
