Andreas M. Köster

Publication Activity (10 Years)

Years Active: 1997-2024
Publications (10 Years): 3

Top Topics

Design Concepts

Intellectual Property

Global Constraints

Hardware Design

Top Venues

J. Comput. Chem.

Publications

Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jirí Hostas, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub
(x = 1, 2, 3). J. Comput. Chem. 45 (19, July) (2024)
Maicon Pierre Lourenço, Jirí Hostas, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub
GAMaterial - A genetic-algorithm software for material design and discovery. J. Comput. Chem. 44 (7) (2023)
L. López-Sosa, Patrizia Calaminici, Andreas M. Köster
Cartesian constraints in QM/MM optimizations. J. Comput. Chem. 44 (30) (2023)
Juan I. Rodríguez, Andreas M. Köster, Paul W. Ayers, Ana Santos-Valle, Alberto Vela, Gabriel Merino
An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces. J. Comput. Chem. 30 (7) (2009)
Florian Janetzko, Thomas Bredow, Gerald Geudtner, Andreas M. Köster
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations. J. Comput. Chem. 29 (13) (2008)
Patrizia Calaminici, Victor Daniel Dominguez-Soria, Gerald Geudtner, Andreas M. Köster
clusters (n=2-6) from the density and the molecular electrostatic potential. J. Comput. Methods Sci. Eng. 7 (5-6) (2007)
Gerald Geudtner, Florian Janetzko, Andreas M. Köster, Alberto Vela, Patrizia Calaminici
Parallelization of the deMon2k code. J. Comput. Chem. 27 (4) (2006)
Roberto Flores-Moreno, Rodrigo J. Alvarez-Mendez, Alberto Vela, Andreas M. Köster
Half-numerical evaluation of pseudopotential integrals. J. Comput. Chem. 27 (9) (2006)
J. Ulises Reveles, Andreas M. Köster
Geometry optimization in density functional methods. J. Comput. Chem. 25 (9) (2004)
Patrizia Calaminici, Karl Jug, Andreas M. Köster, Cécile Arbez-Gindre, Constantinos G. Screttas
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives. J. Comput. Chem. 23 (2) (2002)
Matthias Krack, Andreas M. Köster, Karl Jug
Approximate molecular electrostatic potentials from semiempirical wavefunctions. J. Comput. Chem. 18 (3) (1997)