Concepedia
Carbon · 2019 · 12 citations · 36 references
Open access
Materials ScienceOne-dimensional MaterialEngineeringCarbon-based MaterialNanomaterialsApplied PhysicsEnergy BarriersCarbon NanotubesNanomechanics
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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
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 20.4K citations
Engineering, Mechanical Engineering, Computational Chemistry +22
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 9.1K citations
Numerical Analysis, Engineering, Mechanical Engineering +28
The Activated Complex in Chemical Reactions
Henry Eyring · The Journal of Chemical Physics · 1935 · 5.6K citations
Chemical Engineering, Engineering, Reaction Process +12
A reactive potential for hydrocarbons with intermolecular interactions
Steven J. Stuart, Alan B. Tutein, Judith A. Harrison · The Journal of Chemical Physics · 2000 · 4.3K citations
Materials Science, Molecular Solid, Torsional Potentials +14