Hauptseminar Multiscale Simulations SS 2016/DFT simulating DNA
< Hauptseminar Multiscale Simulations SS 2016
Jump to navigation
Jump to search
Revision as of 13:38, 20 January 2016 by Mfyta (talk | contribs) (Created page with "More information will become available soon. {{Seminartopic |topic= Density functional theory: simulating DNA |speaker=tba |date=tba |tutor=Maria Fyta }} == Contents ==...")
More information will become available soon.
- "{{{number}}}" is not a number.
- Date
- tba"tba" contains an extrinsic dash or other characters that are invalid for a date interpretation.
- Topic
- Density functional theory: simulating DNA
- Speaker
- tba
- Tutor
- Maria Fyta
Contents
In this topic, the density functional theory approach will be discussed.
Literature
- Klaus Capelle, "A bird's-eye view of density-functional theory", arXiv:cond-mat/0211443 (2002).
- W. Kohn and L.J. Sham, "Self-Consistent Equations Including Exchange and Correlation Effects", Phys. Rev. (140), A1133 (1965).
- E-Book: Kieron Burke et al.,University of California, 2007: E-Book: The ABC of DFT.
- C.W. Hsu, M. Fyta, G. Lakatos, S. Melchionna, and E. Kaxiras, Ab initio determination of coarse-grained interactions between nucleotides in double-stranded DNA, J. Chem. Phys. 137, 105102 (2012)