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Retrogression
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Classroom Contents
Accelerating the Calculation of Koopmans Screening Parameters Using Machine Learning
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- 1 Intro
- 2 Project overview
- 3 Step by step
- 4 First step
- 5 Second step
- 6 Mapping orbital densities
- 7 Local decomposition
- 8 Invariance
- 9 Power spectrum
- 10 Retrogression
- 11 Equipments workflow
- 12 Testing the model
- 13 Results
- 14 Mean model
- 15 Training results
- 16 Baseline model
- 17 Test results
- 18 Conclusions
- 19 Questions
