Concepedia

Dynamic behavior in lithium ion/graphene/propylene carbonate electrolyte systems through molecular dynamics simulation

Wenyan Shi, Hui Cang, Wei Xu, Rong Shao, Xiuhua Yan, Chuan-wen Liu, Cheng‐Lung Chen

Computational Materials Science · 2020 · 13 citations · 36 references

Concepts

Natural SciencesChemistryMaterials ScienceComputational Materials ScienceElectrochemical EngineeringMaterials ChemistryElectrolyte MaterialsGraphene NanomaterialsMolecular DynamicsMolecular SimulationSolid ElectrolytesSolid-state ElectrolytesCarbon For Lithium-ion BatteriesElectrochemical ModelingElectrochemical SimulationEquilibrium In Electrolyte SolutionsGraphene Energy Storage MaterialsMolecular Dynamics Of MaterialsMolecular Simulation Algorithms

References

36

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

Natural Sciences, Computer Science, Physics +12

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

Natural Sciences, Chemistry, Physics +14

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.7K citations

Natural Sciences, Physics, Fluid Dynamics +7

Charge equilibration for molecular dynamics simulations

Anthony K. Rappé, William A. Goddard · The Journal of Physical Chemistry · 1991 · 3.4K citations

Natural Sciences, Biophysics, Chemistry +10

Restart procedures for the conjugate gradient method

M. J. D. Powell · Mathematical Programming · 1977 · 1.7K citations

Computing, Computer Science, Scientific Computing +6