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...
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Auteurs principaux: | Miguel Herranz, Daniel Martínez-Fernández, Pablo Miguel Ramos, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso |
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Format: | article |
Langue: | EN |
Publié: |
MDPI AG
2021
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Accès en ligne: | https://doaj.org/article/fabaa2b3f9fe44abbd0b1023c8138d28 |
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