Michael Gaus - Concepedia

Concepedia

Author

Michael Gaus

University of Wisconsin–Madison

Also Known As

Gaus, Michael, M. Gaus, Michael Gaus

29

Publications

3.7K

Citations

18

H-Index

43

Concepts

All Affiliations

University of Wisconsin–Madison Karlsruhe Institute of Technology Technische Universität Braunschweig Pennsylvania State University Lawrence Livermore National Laboratory

MG

About

Michael Gaus is an author at University of Wisconsin–Madison specializing in natural sciences, engineering, and computational chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	13	13	2.9K
2	Natural Sciences	13	13	2.9K
3	Biochemistry	7	7	2.7K
4	Applied Physics	4	4	151
5	Medicine	1	1	63

Michael Gaus

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18

Publications

3.7K

Citations

18

H-Index

	Year	Citations
DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB) Michael Gaus, Qiang Cui, Marcus Elstner Journal of Chemical Theory and Computation EngineeringPhysicsBiochemistryDftb MethodologyNatural Sciences	2011	1.1K
Parametrization and Benchmark of DFTB3 for Organic Molecules Michael Gaus, Albrecht Goez, Marcus Elstner Journal of Chemical Theory and Computation Total EnergyOrganic MoleculesEngineeringBiochemistryThird Order Expansion	2012	1K
Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications Michael Gaus, Xiya Lu, Marcus Elstner, Journal of Chemical Theory and Computation	2014	369
Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems Maximilian Kubillus, Tomáš Kubař, Michael Gaus, Journal of Chemical Theory and Computation	2014	310
Density functional tight binding: application to organic and biological molecules Michael Gaus, Qiang Cui, Marcus Elstner Wiley Interdisciplinary Reviews Computational Molecular Science Molecular DynamicsEngineeringBiochemistryRecent ExtensionsNatural Sciences	2013	204
Parametrization of DFTB3/3OB for Magnesium and Zinc for Chemical and Biological Applications Xiya Lu, Michael Gaus, Marcus Elstner, The Journal of Physical Chemistry B EngineeringTheoretical Inorganic ChemistryParametrization StrategyPrevious Dftb ParametrizationComputational Chemistry	2014	195
Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to Hydrocarbons Michael Gaus, Chien‐Pin Chou, Henryk A. Witek, The Journal of Physical Chemistry A EngineeringPhysicsNatural SciencesApplied PhysicsAutomatized Parametrization	2009	74
Parametrization of the SCC-DFTB Method for Halogens Tomáš Kubař, Zoltán Bodrog, Michael Gaus, Journal of Chemical Theory and Computation EngineeringOrganic ChemistryComputational ChemistryChemistrySpectra-structure Correlation	2013	69
Proton Storage Site in Bacteriorhodopsin: New Insights from Quantum Mechanics/Molecular Mechanics Simulations of Microscopic p<i>K</i><sub>a</sub> and Infrared Spectra Puja Goyal, Nilanjan Ghosh, Prasad Phatak, Journal of the American Chemical Society Protein AssemblyProton-coupled Electron TransferMolecular BiologyNew InsightsProtein Folding	2011	63
Extended Polarization in Third-Order SCC-DFTB from Chemical-Potential Equalization Steve Kaminski, Timothy J. Giese, Michael Gaus, The Journal of Physical Chemistry A Cpe ApproachEngineeringCpe MethodComputational ChemistryChemistry	2012	48

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