Concepedia

Insights into the solubility of H2 in various polyethylene matrices at high pressure: A coarse-grained MC/MD study

Jiawei Zhao, Li Xiao-Feng, Xingguo Wang, Qi Zhang, Changjiang Wu

International Journal of Hydrogen Energy · 2023 · 26 citations · 72 references

DOI

Concepts

References

72

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

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Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

Alexander Stukowski · Modelling and Simulation in Materials Science and Engineering · 2009 · 16.1K citations

, , +17

Optimized intermolecular potential functions for liquid hydrocarbons

William L. Jorgensen, Jeffry D. Madura, Carol J. Swenson · Journal of the American Chemical Society · 1984 · 2.3K citations

, , +13

Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics

Andrew I. Jewett, David Stelter, Jason Lambert et al. · Journal of Molecular Biology · 2021 · 510 citations · Full text

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