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Selfconsistent calculation
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Classroom Contents
Symbolic Regression for Discovery of a DFT Functional - IPAM at UCLA
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- 1 Agenda
- 2 What is symbolic regression
- 3 Program operations
- 4 Parameters
- 5 Regularized Evolution
- 6 DFT Evaluation
- 7 DFT Setup
- 8 Problems
- 9 Selfconsistent field calculations
- 10 Decay interactions
- 11 How is this functional different
- 12 Evolutionary algorithms
- 13 Deep Blue vs Alphago
- 14 Did we just get lucky
- 15 Why didnt we get lucky
- 16 Selfconsistent calculation
- 17 The impact of reasonable choices
- 18 Conclusion
