Citation:
Cui Q, Elstner M, Kaxiras E, Frauenheim T, Karplus M. A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method. J. Phys. Chem. B. 2001;105 :569.
Kaxiras Research Group
Department of Physics and School of Engineering and Applied Sciences
PI Office: Lyman Laboratory 339
Group Offices: Cruft Laboratory 4th floor
