Download Dr. Gábor István Csonka e-mail: 1. Title of

Dr. Gábor István Csonka
e-mail: [email protected]
1. Title of the research topic: Density functional theory applied to larger biomolecules
Description of the research topic:
Apllication 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 quantum theory.
2. Title of the research topic: Development and testing new density functionals
Description of the research topic:
We shall develop new functionals that are more efficient than the existing functionals. The
current research is focuses on the meta-GGA and random phase approxymation methods
with various Gaussian basis sets or plane waves. The research involves a cooperation with
John P. Perdew and Adrienn Ruzsinszky at Temple University. Few monts work in the USA
might be included in the work. These results are useful in the solid state physics, in the
pharmaceutical chemistry and molecular biology apllications. The proposed work requires
very good mathematical and computational skills and excellent understanding of quantum
theory.