Andreas M Köster (A M Köster)

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 12

Top Topics

Density Functional Theory

Oxide Nanoparticles

Machine Learning

High Efficiency

Top Venues

Journal of computational chemistry

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Analila Luna-Valenzuela, Jesús N Pedroza-Montero, Andreas M Köster, Patrizia Calaminici, Luis E Gálvez-González, Alvaro Posada-Amarillas
Pd 8 Cluster: Too Small to Melt? A BOMD Study. The journal of physical chemistry. A (2024)
Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jiří Hostaš, Patrizia Calaminici, Andreas M Köster, Alain B Tchagang, Dennis R Salahub
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce 4-x Ni x O 8- x (x = 1, 2, 3). Journal of computational chemistry 45 (19) (2024)
Analila Luna-Valenzuela, Jesús N Pedroza-Montero, Andreas M Köster, Patrizia Calaminici, Luis E Gálvez-González, Alvaro Posada-Amarillas
Pd 8 Cluster: Too Small to Melt? A BOMD Study. The journal of physical chemistry. A 128 (3) (2024)
Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jiří Hostaš, Patrizia Calaminici, Andreas M Köster, Alain B Tchagang, Dennis R Salahub
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce 4-x Ni x O 8- x (x = 1, 2, 3). Journal of computational chemistry (2024)
L López-Sosa, P Calaminici, Andreas M Köster
Cartesian constraints in QM/MM optimizations. Journal of computational chemistry (2023)
Luis I Hernández-Segura, Andreas M Köster
Efficient implementation of time-dependent auxiliary density functional theory. The Journal of chemical physics 158 (2) (2023)
Maicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, Patrizia Calaminici, Andreas M Köster, Alain B Tchagang, Dennis R Salahub
QMLMaterial─A Quantum Machine Learning Software for Material Design and Discovery. Journal of chemical theory and computation (2023)
Omar López-Estrada, Jorge L Torres-Moreno, Bernardo Zuniga-Gutierrez, Patrizia Calaminici, Sami Malola, Andreas M Köster, Hannu Häkkinen
1 H NMR global diatropicity in copper hydride complexes. Nanoscale 14 (35) (2022)
Maicon Pierre Lourenço, Jiří Hostaš, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M Köster, Alain Tchagang, Dennis R Salahub
GAMaterial-A genetic-algorithm software for material design and discovery. Journal of computational chemistry (2022)
Maicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, Patrizia Calaminici, Andreas M Köster, Alain Tchagang, Dennis R Salahub
Automatic structural elucidation of vacancies in materials by active learning. Physical chemistry chemical physics : PCCP 24 (41) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Francisco A Delesma, Rogelio I Delgado-Venegas, Dennis R Salahub, Jorge M Del Campo, Jesús N Pedroza-Montero, Patrizia Calaminici, Andreas M Köster
Self-Consistent Auxiliary Density Perturbation Theory. Journal of chemical theory and computation 17 (11) (2021)