Michael Gaus

Report of the Working Group on Iron and Steel Buildings

Le-Wu Lu, Lawrence Schwartz, Carl Baumert, 1985 .

Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications

Michael Gaus, Marcus Elstner, Qiang Cui, 2014, Journal of chemical theory and computation.

Improved electronic properties from third-order SCC-DFTB with cost efficient post-SCF extensions.

Steve Kaminski, Michael Gaus, Marcus Elstner, 2012, The journal of physical chemistry. A.

Parametrization of DFTB3/3OB for Magnesium and Zinc for Chemical and Biological Applications

Michael Gaus, Marcus Elstner, Qiang Cui, 2014, The journal of physical chemistry. B.

Extended polarization in third-order SCC-DFTB from chemical-potential equalization.

Steve Kaminski, Darrin M York, Michael Gaus, 2012, The journal of physical chemistry. A.

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

Michael Gaus, Marcus Elstner, Qiang Cui, 2011, Journal of chemical theory and computation.

Density functional tight binding: application to organic and biological molecules

Michael Gaus, Marcus Elstner, Qiang Cui, 2014 .

Parameterization of the DFTB3 method for Br, Ca, Cl, F, I, K, and Na in organic and biological systems.

Michael Gaus, Jan Řezáč, Marcus Elstner, 2015, Journal of chemical theory and computation.

Parametrization of the SCC-DFTB Method for Halogens.

Bálint Aradi, Thomas Frauenheim, Christof Köhler, 2013, Journal of chemical theory and computation.