Electrokinetics desalination of water using fluorinated carbon nanotubes embedded in silicon membrane: Insights from molecular dynamics simulation

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

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 41.1K citations

Engineering, Liquid-liquid Flow, Fluid Mechanics +18

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 29.8K citations · Full text

Numerical Analysis, Engineering, Electrostatic Energies +18

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.8K citations

Engineering, Simple Liquid, Liquid-liquid Flow +7

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

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Engineering, Molecular Biology, Computational Chemistry +17