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GloMPO (Globally Managed Parallel Optimization): a tool for expensive, black-box optimizations, application to ReaxFF reparameterizations

In this work we explore the properties which make many real-life global optimization problems extremely difficult to handle, and some of the common techniques used in literature to address them. We then introduce a general optimization management tool called GloMPO (Globally Managed Parallel Optimiz...

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Detalles Bibliográficos
Autores principales: Freitas Gustavo, Michael, Verstraelen, Toon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8848815/
https://www.ncbi.nlm.nih.gov/pubmed/35172881
http://dx.doi.org/10.1186/s13321-022-00581-z