Hybrid approach combining dissipative particle dynamics and finite-difference diffusion model: Simulation of reactive polymer coupling and interfacial polymerization
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4824768
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1. Mixed quantum-classical simulations of charge transport in organic materials: Numerical benchmark of the Su-Schrieffer-Heeger model
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3. Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
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5. Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites
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