A molecular dynamics approach of the role of carbon nanotube diameter on thermal interfacial resistance through vibrational mismatch analysis

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 64.1K citations

Engineering, Visual Molecular Dynamics, Molecular Biology +5

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 43.6K citations

Engineering, Fast Parallel Algorithms, Parallel Programming +6

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.5K citations

Materials Science, Engineering, Carbon-based Material +4

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 22.7K citations

Engineering, Molecular Thermodynamics, Physics +13

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.2K citations · Full text

Engineering, Lennard-jones Potential, Fluid Mechanics +21