Molecular Dynamics and the Rouse Model - An Introduction to the ...
Molecular Dynamics and the Rouse Model - An Introduction to the ...
Molecular Dynamics and the Rouse Model - An Introduction to the ...
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<strong>Introduction</strong><br />
Methods<br />
Results<br />
Summary<br />
Appendix<br />
Verlet Algorithm<br />
The <strong>Rouse</strong> <strong>Model</strong><br />
The Zimm <strong>Model</strong><br />
Some Topics Considered<br />
Verlet Algorithm is ”numerical integration” of motion eqns.<br />
Next position ⃗r(t + δt) ”future” determined by<br />
current position ⃗r(t) <strong>and</strong> acceleration ⃗a(t): t ⇒ ”now”<br />
previous position ⃗r(t − δt): t − δt ⇒ ”past”<br />
⃗r(t + δt) = ⃗r(t) + δt⃗v(t) + 1 2 δt2 ⃗a(t) + ...<br />
⃗r(t − δt) = ⃗r(t) − δt⃗v(t) + 1 2 δt2 ⃗a(t) + ...<br />
The Verlet Algorithm<br />
⃗r(t + δt) = 2⃗r(t) −⃗r(t − δt) + δt 2 ⃗a(t) + ...<br />
Daniel Bridges, Dr. <strong>An</strong>iket Bhattacharya<br />
<strong>Molecular</strong> <strong>Dynamics</strong> <strong>and</strong> <strong>the</strong> <strong>Rouse</strong> <strong>Model</strong>