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0answers
37 views

Relation between bonded and non bonded interactions

I came across parameterizing a finitely extensible model for polymers. The maximum stretch length is approximately 3.5 in sigma units. This means that the bonded interaction energy will have a maximum ...
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0answers
64 views

What is the physical property of metal nanoparticles?

I am a Math student but now I have to deal with gold nanoparticles in aqueous solution. Now I was wondering whether the physical properties of gold nanoparticles are the same as the properties of gold ...
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4answers
2k views

Why is the canonical ($NVT$) ensemble often used for (classical) molecular dynamics (MD) simulations?

Molecular dynamics (MD) simulation is a common approach to the (classical) many-body problem. It relies on integration of Newton's equations of motion to simulate the trajectories of many (e.g., ...