HTPolyNet: A general system generator for all-atom molecular simulations of amorphous crosslinked polymers
Generation of realistic all-atom configurations of crosslinked polymer systems is a difficult task which so far has mainly been tackled using either closed-source software or bespoke, highly user-intensive efforts. In this work, we present a robust, open-source Python package HTPolyNet designed to g...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-02-01
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| Series: | SoftwareX |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711022002217 |