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27:58 Wavefunction Optimization
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Classroom Contents
Introduction to Quantum Monte Carlo - Session 2 of 7
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- 1 00:00 Introduction to Quantum Monte Carlo
- 2 02:04 Where to find more information
- 3 05:40 The Electronic Structure Problem
- 4 07:02 Solving the Schrodinger Equation
- 5 09:30 Perspective on Quantum Monte Carlo Methods
- 6 13:47 Variational approaches
- 7 18:40 Variational Monte Carlo algorithm
- 8 20:32 Convergence of Monte Carlo
- 9 22:14 Trial Wavefunctions
- 10 26:08 Jastrow Factors
- 11 27:58 Wavefunction Optimization
- 12 30:18 Variance Minimization
- 13 34:09 Linear Method / Energy Minimization
- 14 45:54 Mapping VMC to computers
- 15 41:23 VMC workflow
- 16 43:06 Example VMC calculations
- 17 46:52 Key Features of VMC
- 18 50:55 Diffusion Monte Carlo
- 19 56:37 Fixed Node Approximation
- 20 59:44 DMC in Practice
- 21 1:04:50 Time Step Error
- 22 1:06:30 Mapping DMC to computers
- 23 1:08:08 Example DMC and VMC for Molecules
- 24 1:10:11 Example DMC calculations
- 25 1:14:44 Key Features of DMC
- 26 1:17:36 Overall QMC Workflow
- 27 1:18:24 Testing Statistics
- 28 1:20:14 Rough guide to QMC settings
- 29 1:23:04 Wavefunction Quality
- 30 1:25:34 Accessible system sizes
- 31 1:27:24 Topics not covered
- 32 1:29:21 Summary and Questions
