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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Bibliographic Details
Main Authors: Miguel Herranz, Daniel Martínez-Fernández, Pablo Miguel Ramos, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Format: article
Language:EN
Published: MDPI AG 2021
Subjects:
Online Access:https://doaj.org/article/fabaa2b3f9fe44abbd0b1023c8138d28
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