Andreas M. Köster

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

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce_4-xNi_xO_8-_x (x = 1, 2, 3).

Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jirí Hostas, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub

J. Comput. Chem., 2024

2023

GAMaterial - A genetic-algorithm software for material design and discovery.

Maicon Pierre Lourenço, Jirí Hostas, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub

J. Comput. Chem., 2023

Cartesian constraints in QM/MM optimizations.

Luis López-Sosa, Patrizia Calaminici, Andreas M. Köster

J. Comput. Chem., 2023

2009

An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces.

Juan I. Rodríguez, Andreas M. Köster, Paul W. Ayers, Ana Santos-Valle, Alberto Vela, Gabriel Merino

J. Comput. Chem., 2009

2008

Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations.

Florian Janetzko, Thomas Bredow, Gerald Geudtner, Andreas M. Köster

J. Comput. Chem., 2008

2007

Molecular graphs of Li_n clusters (n=2-6) from the density and the molecular electrostatic potential.

Patrizia Calaminici, Victor Daniel Dominguez-Soria, Gerald Geudtner, Andreas M. Köster

J. Comput. Methods Sci. Eng., 2007

2006

Parallelization of the deMon2k code.

Gerald Geudtner, Florian Janetzko, Andreas M. Köster, Alberto Vela, Patrizia Calaminici

J. Comput. Chem., 2006

Half-numerical evaluation of pseudopotential integrals.

Roberto Flores-Moreno, Rodrigo J. Alvarez-Mendez, Alberto Vela, Andreas M. Köster

J. Comput. Chem., 2006

2004

Geometry optimization in density functional methods.

J. Ulises Reveles, Andreas M. Köster

J. Comput. Chem., 2004

2002

Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.

Patrizia Calaminici, Karl Jug, Andreas M. Köster, Cécile Arbez-Gindre, Constantinos G. Screttas

J. Comput. Chem., 2002

1997

Approximate molecular electrostatic potentials from semiempirical wavefunctions.

Matthias Krack, Andreas M. Köster, Karl Jug

J. Comput. Chem., 1997