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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.