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Simu-D: A Simulator-Descriptor Suite for Polymer-Based Systems under Extreme Conditions
We present Simu-D, a software suite for the simulation and successive identification of local structures of atomistic systems, based on polymers, under extreme conditions, in the bulk, on surfaces, and at interfaces. The protocol is built around various types of Monte Carlo algorithms, which include...
Autores principales: | Herranz, Miguel, Martínez-Fernández, Daniel, Ramos, Pablo Miguel, Foteinopoulou, Katerina, Karayiannis, Nikos Ch., Laso, Manuel |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8621175/ https://www.ncbi.nlm.nih.gov/pubmed/34830346 http://dx.doi.org/10.3390/ijms222212464 |
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