Andreas M Köster

16PUBLICATIONS
87CO-AUTHORS
Computational chemistryTheoretical quantum chemistryRadiation and matterStatistical mechanics in chemistryMicro- and nanosystems
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Publications (16)

|Jul 08, 2026
Double Asymptotic Expansion of Three-Center Electron Repulsion Integrals 2nd Derivatives.

|Mar 30, 2026
Nuclear Spin-Spin Coupling Constants from Auxiliary Density Functional Theory.

Bernardo Zuniga-Gutierrez, Luis G Cota, Jesús N Pedroza-Montero

|Apr 01, 2025
Constrained Structure Minimizations on Hyperspheres for Minimum Energy Path Following.

Jorge Alberto Sanchez Alvarez, Luis López-Sosa, Andreas M Köster

|Feb 27, 2025
Automatic Generation of Even-Tempered Auxiliary Basis Sets with Shared Exponents for Density Fitting.

Manuel Díaz-Tinoco, Roberto Flores-Moreno, Bernardo A Zúñiga-Gutiérrez

|Feb 21, 2025
First Principles Global Optimization Method From Parallel Tempering Molecular Dynamics.

Gerald Geudtner, Andreas M Köster

|Mar 29, 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).

Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jiří Hostaš

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Frequent Collaborators

10 joint publications

Patrizia Calaminici

5 joint publications

Maicon Pierre Lourenço

4 joint publications

Dennis R Salahub

3 joint publications

Jiří Hostaš