collaborators

1 paper

cond-mat.mtrl-sci2024

Procedural Construction of Atomistic Polyurethane Block Copolymer Models for High Throughput Simulations

Dominic Robe, Adrian Menzel, Andrew W Phillips +1

In this work, methods are presented to automatically generate a fully atomistic LAMMPS models of arbitrary linear multiblock polyurethane copolymers. The routine detailed here rece…