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Introducing a Hydrogen-Simplified Force-Matched Coarse Grained Force Field to Explore Larger Spatiotemporal Domains in Molecular Dynamics Models of Bitumen

https://doi.org/10.2139/ssrn.4676361
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Calculation of the Interaction Potential Curve between Asphaltene−Asphaltene, Asphaltene−Resin, and Resin−Resin Systems Using Density Functional Theory
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Coarse-Grained Molecular Simulations to Investigate Asphaltenes at the Oil–Water Interface
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Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n -Alkanes
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The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
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Four-component united-atom model of bitumen
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Viscosity, relaxation time, and dynamics within a model asphalt of larger molecules
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Multi-scale coarse-graining of non-conservative interactions in molecular liquids
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Evidence of information limitations in coarse-grained models
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Can a coarse-grained water model capture the key physical features of the hydrophobic effect?
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Molecular Simulation and the Aggregation of the Heavy Fractions in Crude Oils
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MOLECULAR MECHANICS OF AGGREGATES OF ASPHALTENES AND RESINS OF THE ATHABASCA OIL
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Docking of An Asphaltene Molecular Model on A Fe2O3Surface, An Ab Initio Simulated Annealing
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Coarse Graining of Nonbonded Degrees of Freedom
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Bitumen morphologies by phase‐detection atomic force microscopy
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Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
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Comparison of iterative inverse coarse-graining methods
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Interatomic Potentials from First-Principles Calculations: The Force-Matching Method
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Standard Maxwell-Boltzmann distribution: Definition and Properties
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