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Simulation Methods I

This class was created by Brainscape user Grant Cates. Visit their profile to learn more about the creator.

By: Grant Cates
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Decks in this class (11)

Chapter 1: MD Methods
Main uses md methods,
Ergodicity hypothesis,
Ergodicity md mc
11  cards
Chapter 2: Statistical Mechanics
Hamiltonian dynamics,
Phase space vs state space,
Basic assumption of statistical m...
12  cards
Chapter 3: Integrators Revisited
Lyapunov instability overview,
Lyapunov instability take away
2  cards
Chapter 4: MD Example
Md interactions,
Lennard jones potential,
Lennard jones potential graph
6  cards
Chapter 5: Periodic Boundary Conditions
Periodic boundary conditions moti...,
Periodic boundary conditions notes,
Periodic boundary conditions effi...
6  cards
Chapter 6: Radial Distribution Function
Radial distribution function,
Diffusion constant einstein method,
Diffusion constant einstein metho...
5  cards
Chapter 7: MD in Different Ensembles
Md in different ensembles overview,
Langevin dynamics,
Langevin dynamics properties
6  cards
Chapter 8: Statistical Errors and Autocorrelation Times
Fluctuation approximations,
Error of estimator,
Autocorrelation times
5  cards
Chapter 9: More on Thermostats
Andersen thermostat overview,
Andersen thermostat algorithm,
Andersen thermostat notes
5  cards
Chapter 10: MC Method
Brief outline,
Simple sampling,
Simple sampling disadvantages
9  cards
Chapter 11: Observables in Phase Transition
First order phase transition,
Second order phase transition,
Specific heat magnetization and m...
8  cards

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Simulation Methods I

  • Class purpose General learning

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