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Published in 2019 at "Current Opinion in Chemical Engineering"
DOI: 10.1016/j.coche.2019.04.003
Abstract: Interfacial systems are ubiquitous and important to myriad processes of interest such as protein-protein interactions and catalysis of reactions. Investigating interfacial systems at the molecular level presents unique challenges to both experiments and molecular simulations.…
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Keywords:
field development;
interfacial systems;
force field;
simulations interfacial ... See more keywords