Concepedia

Michael Gaus

MG

18

Publications

3.7K

Citations

18

H-Index

2009

Active since

Affiliations

University of Wisconsin–Madison(Current)

Karlsruhe Institute of Technology

Technische Universität Braunschweig

Pennsylvania State University

Lawrence Livermore National Laboratory

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

Top concepts

EngineeringNatural SciencesChemistryQuantum ChemistryComputational ChemistryBiophysicsPhysicsPhysical ChemistryBiochemistryElectronic Structure

Publications per year

2009–2015

18

Publications

18

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 · 2011 · 1.1K citations · Full text

Engineering, Physics, Biochemistry +14

Parametrization and Benchmark of DFTB3 for Organic Molecules

Michael Gaus, Albrecht Goez, Marcus Elstner · Journal of Chemical Theory and Computation · 2012 · 1K citations

Total Energy, Organic Molecules, Engineering +13

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

Michael Gaus, Xiya Lu, Marcus Elstner et al. · Journal of Chemical Theory and Computation · 2014 · 369 citations · Full text

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 et al. · Journal of Chemical Theory and Computation · 2014 · 310 citations

Density functional tight binding: application to organic and biological molecules

Michael Gaus, Qiang Cui, Marcus Elstner · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 204 citations

Molecular Dynamics, Engineering, Biochemistry +15

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