Simu-D: A Simulator-Descriptor Suite for Polymer-Based Systems under Extreme Conditions

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...

Full description

Bibliographic Details
Main Authors: Miguel Herranz, Daniel Martínez-Fernández, Pablo Miguel Ramos, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:International Journal of Molecular Sciences
Subjects:
Monte Carlo
atomistic simulation
molecular simulation
hard sphere
extreme conditions
confinement
Online Access:https://www.mdpi.com/1422-0067/22/22/12464

Internet

https://www.mdpi.com/1422-0067/22/22/12464

Similar Items