Thomas Frauenheim - Concepedia

Author

Thomas Frauenheim

Also Known As

Frauenheim, T., Frauenheim, Th., Frauenheim, Thomas, Sheng Wang, T Frauenheim, T. Frauenheim, TH. FRAUENHEIM, TH. Frauenheim, THOMAS FRAUENHEIM, Th Frauenheim

935

Publications

46.9K

Citations

100

H-Index

279

Concepts

All Affiliations

University of Bremen Paderborn University Chemnitz University of Technology Beijing Computational Science Research Center German Cancer Research Center

About

Thomas Frauenheim is an author at University of Bremen specializing in engineering, applied physics, and chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	81	365	34K
2	Natural Sciences	66	195	23.2K
3	Medicine	9	9	901
4	Education	1	1	18
5	Health Sciences	1	1	206

Thomas Frauenheim

497

Publications

42.5K

Citations

H-Index

Page 1

	Year	Citations
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties Marcus Elstner, D. Porezag, G. Jungnickel, Physical review. B, Condensed matter EngineeringMaterial SimulationComputational ChemistryChemistryElectronic Structure	1998	4.1K
Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon D. Porezag, Thomas Frauenheim, Th. Köhler, Physical review. B, Condensed matter Molecular SolidEngineeringPhysicsNatural SciencesApplied Physics	1995	2.2K
DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method Bálint Aradi, B. Hourahine, Thomas Frauenheim The Journal of Physical Chemistry A Numerical AnalysisDftb SystemSparse RepresentationNew Fortran 95Engineering	2007	1.7K
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B. Hourahine, Bálint Aradi, Volker Blüm, The Journal of Chemical Physics Quantum DynamicEngineeringMaterial SimulationComputational ChemistryChemistry	2020	1.1K
Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment Marcus Elstner, Pavel Hobza, Thomas Frauenheim, The Journal of Chemical Physics EngineeringMolecular BiologyComputational ChemistryChemistryMolecular Dynamics	2001	1K
Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct <i>I</i>–<i>V</i> Response Liangzhi Kou, Thomas Frauenheim, Changfeng Chen The Journal of Physical Chemistry Letters NanosheetEngineeringGas SensorOptimal Adsorption PositionsTwo-dimensional Materials	2014	1K
Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme Gotthard Seifert, D. Porezag, Thomas Frauenheim International Journal of Quantum Chemistry Cluster ScienceMolecular SolidEngineeringPhysicsElectronic States	1996	733
A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method Qiang Cui, Marcus Elstner, Efthimios Kaxiras, The Journal of Physical Chemistry B Relative StabilitiesEngineeringQuantum Mechanical/molecular MechanicalComputational ChemistryChemistry	2000	589
A Self-Consistent Charge Density-Functional Based Tight-Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology Thomas Frauenheim, Gotthard Seifert, M. Elsterner, physica status solidi (b) EngineeringMany-body Quantum PhysicPolar SemiconductorsMaterial SimulationPredictive Materials Simulations	2000	559
Atomistic simulations of complex materials: ground-state and excited-state properties Thomas Frauenheim, Gotthard Seifert, Marcus Elstner, Journal of Physics Condensed Matter Electronic Spin DensitiesLocalized Excited StateExcited-state PropertiesEngineeringComplex Materials	2002	543

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