Comparison of MD Packages
This is a list of free computer packages that are commonly used for Molecular Dynamics (MD)…
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February 16, 2020
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Buckingham Potential
In theoretical chemistry, the Buckingham potential is a formula proposed by Richard Buckingham which describes the…
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February 10, 2020
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Lennard-Jones Potential
The Lennard-Jones (LJ) potential is a mathematically simple model that approximates the interaction between a pair…
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February 10, 2020
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Bonding Energy Model
Bonding Energy ModelModels of atomic bonding are used for a wide range of simulations of materials,…
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November 9, 2019
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Periodic Boundary Conditions
Periodic boundary conditions (PBCs) are a set of boundary conditions which are often chosen for approximating…
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October 30, 2019
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Coarse Grained Modeling
Coarse-grained modeling approach aim at simulating the behaviour of complex systems using their coarse-grained (simplified) representation.…
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September 26, 2019
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