Andreas M. Köster

Orcid: 0000-0001-9279-3455

According to our database1, Andreas M. Köster authored at least 11 papers between 1997 and 2024.

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

Timeline

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Links

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Bibliography

2024
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce<sub>4-x</sub>Ni<sub>x</sub>O<sub>8-</sub><sub>x</sub> (x = 1, 2, 3).
J. Comput. Chem., 2024

2023
GAMaterial - A genetic-algorithm software for material design and discovery.
J. Comput. Chem., 2023

Cartesian constraints in QM/MM optimizations.
J. Comput. Chem., 2023

2009
An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces.
J. Comput. Chem., 2009

2008
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations.
J. Comput. Chem., 2008

2007
Molecular graphs of Li<sub>n</sub> clusters (n=2-6) from the density and the molecular electrostatic potential.
J. Comput. Methods Sci. Eng., 2007

2006
Parallelization of the deMon2k code.
J. Comput. Chem., 2006

Half-numerical evaluation of pseudopotential integrals.
J. Comput. Chem., 2006

2004
Geometry optimization in density functional methods.
J. Comput. Chem., 2004

2002
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.
J. Comput. Chem., 2002

1997
Approximate molecular electrostatic potentials from semiempirical wavefunctions.
J. Comput. Chem., 1997


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