I’ve been utilizing Enhanced Monte Carlo (EMC) to create linear polymer chains, and up until now, the process has been rather simple. At present, I’m keen on constructing crosslinked polymer systems and I’m curious as to whether EMC provides any inherent capabilities or established workflows for the purpose of crosslinking.
EMC currently does not support crosslinking. One could mimic crosslinking by the use of dendrimers in which the number density of forking points equals the crosslinking density.
For the generation of cross-linked polymer models you can take a look at HTPolynet: GitHub - AbramsGroup/HTPolyNet: Development of High-Throughput Polymer Network Atomistic Simulation