Enhanced tribological properties of polymer composites by incorporation of nano-SiO 2 particles: A molecular dynamics simulation study

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 30.3K citations · Full text

Vibronic Interaction, Thermodynamic Modelling, Engineering +13

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.6K citations

Fixed Volume, Engineering, Fluid Mechanics +18

The representation of van der Waals (vdW) interactions in molecular mechanics force fields: potential form, combination rules, and vdW parameters

Thomas A. Halgren · Journal of the American Chemical Society · 1992 · 759 citations

Combination Rules, Engineering, Altmetric Attention Score +18

Computer simulations of poly(ethylene oxide): force field, pvt diagram and cyclization behaviour

David L. Rigby, Huai Sun, B. E. Eichinger · Polymer International · 1997 · 490 citations

Engineering, Mechanical Engineering, Polymer Nanocomposites +23

Enhancement of Thermal Energy Transport Across Graphene/Graphite and Polymer Interfaces: A Molecular Dynamics Study

Tengfei Luo, John R. Lloyd · Advanced Functional Materials · 2012 · 402 citations

Polymer Interfaces, Engineering, Mechanical Engineering +23