Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)-Reference-Cited by-同舟云学术

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Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)

Published:2024-02 Issue: Volume:25 Page:101632
ISSN:2352-7110
Container-title:SoftwareX
language:en
Short-container-title:SoftwareX

Author:

Krummenacher Marco,Gubler Moritz,Finkler Jonas A.,Huber Hannes,Sommer-Jörgensen Martin,Goedecker Stefan

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Centro Svizzero di Calcolo Scientifico

Publisher

Elsevier BV

Reference47 articles.

1. Optimization by simulated annealing;Kirkpatrick;Science,1983

2. Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms;Wales;J Phys Chem A,1997

3. High-pressure phases of silane;Pickard;Phys Rev Lett,2006

4. Crystal structure prediction and simulations of structural transformations: Metadynamics and evolutionary algorithms;Martoňák;Ph Transit,2007

5. Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries;Johnston;J Chem Soc, Dalton Trans,2003

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Accelerating structure search using atomistic graph-based classifiers;The Journal of Chemical Physics;2024-07-03

2. Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE) [SoftwareX 25 (2024) 101632];SoftwareX;2024-05

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