Molecular dynamics simulations of the elastic properties of polymer/carbon nanotube composites

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.8K citations

Natural Sciences, Biochemistry, Biophysics +5

DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

Natural Sciences, Chemistry, Physics +15

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.9K citations

Natural Sciences, Chemistry, Physics +17

Load transfer and deformation mechanisms in carbon nanotube-polystyrene composites

Dong Qian, Elizabeth C. Dickey, Rodney Andrews et al. · Applied Physics Letters · 2000 · 2.4K citations

Natural Sciences, Materials Engineering, Materials Science +17

Molecular Modelling: Principles and Applications

José Ramón Valverde · Briefings in Bioinformatics · 2001 · 1.9K citations · Full text

Life Sciences, Bioinformatics, Molecular Biology +9