Design Polyethylene-Polypropylene Copolymers with High Thermal Conductivity Using a Molecular-Dynamics-Driven Genetic Algorithm
Published in TBD, 2021
In preparation
Publications
Knotting Behaviour of Polymer Chains in the Melt State for Soft-Core Models with and without Slip-Springs
Published in Journal of Physics: Condensed Matter, 2021
Under Review
Combination of Hybrid Particle-Field Molecular Dynamics and Slip-Springs for the Efficient Simulation of Coarse-Grained Polymer Models: Static and Dynamic Properties of Polystyrene Melts
Published in Journal of Chemical Theory and Computation, 2020
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Atomistic hybrid particle‐field molecular dynamics combined with slip‐springs : Restoring entangled dynamics to simulations of polymer melts
Published in Journal of Computational Chemistry, 2020
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