Thomas Frauenheim

According to our database1, Thomas Frauenheim authored at least 9 papers between 2003 and 2019.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2019
Quantum Coherences as a Thermodynamic Potential.
Open Syst. Inf. Dyn., 2019

SLABCC: Total energy correction code for charged periodic slab models.
Comput. Phys. Commun., 2019

2015
SCC-DFTB parameters for simulating hybrid gold-thiolates compounds.
J. Comput. Chem., 2015

2012
A complete set of self-consistent charge density-functional tight-binding parametrization of zinc chalcogenides (ZnX; X=O, S, Se, and Te).
J. Comput. Chem., 2012

Analytical excited state forces for the time-dependent density-functional tight-binding method [Journal of Computational Chemistry 28, 2589].
J. Comput. Chem., 2012

2007
Analytical excited state forces for the time-dependent density-functional tight-binding method.
J. Comput. Chem., 2007

2006
Computational photochemistry of retinal proteins.
J. Comput. Aided Mol. Des., 2006

2004
Molecular force field parametrization using multi-objective evolutionary algorithms.
Proceedings of the IEEE Congress on Evolutionary Computation, 2004

2003
Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis.
J. Comput. Chem., 2003


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