Ich stimme zu, dass diese Seite Cookies verwende. Weitere Informationen finden Sie unter unseren Datenschutzerklärungen .
X
Köster, Andreas M.
~ 3000  Ergebnisse:
Personensuche X
?
1

Active‐learning for global optimization of Ni‐Ceria nanopar..:

Barrios Herrera, Lizandra ; Lourenço, Maicon Pierre ; Hostaš, Jiří...
Journal of Computational Chemistry.  45 (2024)  19 - p. 1643-1656 , 2024
Link: https://doi.org/10.1002/..
 
?
2

A molecular mechanics implementation of the cyclic cluster ..:

Samaniego-Rojas, Juan Diego ; Gaumard, Robin ; Alejandre, José...
Zeitschrift für Naturforschung B.  79 (2024)  4 - p. 201-213 , 2024
Link: https://doi.org/10.1515/..
 
?
3

Pd8 Cluster: Too Small to Melt? A BOMD Study:

Luna-Valenzuela, Analila ; Pedroza-Montero, Jesús N. ; Köster, Andreas M....
The Journal of Physical Chemistry A.  128 (2024)  3 - p. 572-580 , 2024
Link: https://doi.org/10.1021/..
 
?
4

Efficient implementation of time-dependent auxiliary densit..:

Hernández-Segura, Luis I. ; Köster, Andreas M.
The Journal of Chemical Physics.  158 (2023)  2 - p. , 2023
Link: https://doi.org/10.1063/..
 
?
5

How important is the amount of exact exchange for spin-stat..:

Hostaš, Jiří ; Pérez-Becerra, Kevin O. ; Calaminici, Patrizia...
The Journal of Chemical Physics.  159 (2023)  18 - p. , 2023
Link: https://doi.org/10.1063/..
 
?
6

1H NMR global diatropicity in copper hydride complexes:

López-Estrada, Omar ; Torres-Moreno, Jorge L. ; Zuniga-Gutierrez, Bernardo...
Nanoscale.  14 (2022)  35 - p. 12668-12676 , 2022
Link: https://doi.org/10.1039/..
 
?
7

First-principle polarizabilities of nanosystems from auxili..:

Pedroza-Montero, Jesús N. ; Calaminici, Patrizia ; Köster, Andreas M.
Theoretical Chemistry Accounts.  141 (2022)  2 - p. , 2022
Link: https://doi.org/10.1007/..
 
?
8

A new active learning approach for adsorbate–substrate stru..:

Lourenço, Maicon Pierre ; Herrera, Lizandra Barrios ; Hostaš, Jiří...
Journal of Molecular Modeling.  28 (2022)  6 - p. , 2022
Link: https://doi.org/10.1007/..
 
?
9

Automatic structural elucidation of vacancies in materials ..:

Lourenço, Maicon Pierre ; Herrera, Lizandra Barrios ; Hostaš, Jiří...
Physical Chemistry Chemical Physics.  24 (2022)  41 - p. 25227-25239 , 2022
Link: https://doi.org/10.1039/..
 
?
10

GAMaterial—A genetic‐algorithm software for material design..:

Lourenço, Maicon Pierre ; Hostaš, Jiří ; Herrera, Lizandra Barrios...
Journal of Computational Chemistry.  44 (2022)  7 - p. 814-823 , 2022
Link: https://doi.org/10.1002/..
 
?
11

Self-Consistent Auxiliary Density Perturbation Theory:

Delesma, Francisco A. ; Delgado-Venegas, Rogelio I. ; Salahub, Dennis R....
Journal of Chemical Theory and Computation.  17 (2021)  11 - p. 6934-6946 , 2021
Link: https://doi.org/10.1021/..
 
?
12

Symmetry-adapted density fitting in auxiliary density funct..:

Carranza, Adrián A. M. ; Köster, Andreas M.
Theoretical Chemistry Accounts.  140 (2021)  3 - p. , 2021
Link: https://doi.org/10.1007/..
 
?
13

Taking the multiplicity inside the loop: active learning fo..:

Lourenço, Maicon Pierre ; Herrera, Lizandra Barrios ; Hostaš, Jiří...
Theoretical Chemistry Accounts.  140 (2021)  8 - p. , 2021
Link: https://doi.org/10.1007/..
 
?
14

Implementation of the parallel-tempering molecular dynamics..:

Louisnard, Fernand ; Geudtner, Gerald ; Köster, Andreas M..
Theoretical Chemistry Accounts.  140 (2021)  7 - p. , 2021
Link: https://doi.org/10.1007/..
 
?
15

Global optimization of ~ 1 nm MoS2 and CaCO3 nanoparticles:

Hostaš, Jiří ; Tchagang, Alain ; Lourenço, Maicon Pierre..
Theoretical Chemistry Accounts.  140 (2021)  4 - p. , 2021
Link: https://doi.org/10.1007/..
 
1-15