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20222026
most citedA machine learning accelerated inverse design of underwater acoustic polyurethane coatings with cylindrical voids

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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…