Introduction to Uncertainty Quantification

Introduction to Uncertainty Quantification

Offering: 2015 Summer School Section: Default

Video
  • Pseudopotentials: design, testing, typical errors 1. Pseudopotentials: design, test… 0
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  • Ab initio theory 2. Ab initio theory 48.782115448782115
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  • Ab initio theory 3. Ab initio theory 75.241908575241908
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  • Ab initio theory 4. Ab initio theory 117.11711711711712
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  • Ab initio theory 5. Ab initio theory 142.14214214214215
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  • Ab initio theory 6. Ab initio theory 146.84684684684686
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  • Ab initio theory - questions 7. Ab initio theory - questions 164.43109776443112
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  • Ab initio theory - questions 8. Ab initio theory - questions 204.90490490490492
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  • What is Si lattice constant in GGA? 9. What is Si lattice constant in… 235.73573573573574
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  • Outline 10. Outline 285.68568568568571
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  • Electronic Structure Calculations 11. Electronic Structure Calculati… 348.98231564898231
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  • Electronic Structure Calculations 12. Electronic Structure Calculati… 358.79212545879216
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  • Electronic Structure Calculations 13. Electronic Structure Calculati… 372.60593927260595
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  • Electronic Structure Calculations 14. Electronic Structure Calculati… 380.38038038038042
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  • Electronic Structure Calculations 15. Electronic Structure Calculati… 386.85352018685353
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  • Electronic Structure Calculations 16. Electronic Structure Calculati… 425.62562562562562
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  • Electronic Structure Calculations 17. Electronic Structure Calculati… 462.328995662329
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  • Electronic Structure Calculations 18. Electronic Structure Calculati… 485.78578578578578
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  • Density Functional Theory 19. Density Functional Theory 500.96763430096763
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  • Kohn-Sham Equations 20. Kohn-Sham Equations 663.02969636302976
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  • Kohn-Sham Equations 21. Kohn-Sham Equations 690.29029029029027
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  • Kohn-Sham Equations 22. Kohn-Sham Equations 748.8822155488823
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  • Exchange-correlation Functional 23. Exchange-correlation Functiona… 769.36936936936945
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  • Exchange-correlation Functional 24. Exchange-correlation Functiona… 789.8565231898566
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  • Exchange-correlation Functional 25. Exchange-correlation Functiona… 821.72172172172179
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  • Accuracy (LDA / GGA) 26. Accuracy (LDA / GGA) 968.90223556890226
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  • Accuracy (LDA / GGA) 27. Accuracy (LDA / GGA) 1024.9249249249249
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  • Accuracy (LDA / GGA) 28. Accuracy (LDA / GGA) 1082.4157490824157
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  • DFT Use 29. DFT Use 1111.8118118118118
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  • How to solve Kohn-Sham? 30. How to solve Kohn-Sham? 1334.0006673340008
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  • How to solve Kohn-Sham? 31. How to solve Kohn-Sham? 1373.7404070737405
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  • Problem with naive plane-waves 32. Problem with naive plane-waves 1408.641975308642
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  • Problem with naive plane-waves 33. Problem with naive plane-waves 1441.0744077410745
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  • Problem with naive plane-waves 34. Problem with naive plane-waves 1511.1778445111779
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  • All-electron calculations 35. All-electron calculations 1563.5301968635304
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  • LAPW solution 36. LAPW solution 1626.2595929262598
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  • Pseudopotentials 37. Pseudopotentials 1708.274941608275
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  • Pseudopotentials 38. Pseudopotentials 1786.8535201868535
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  • Pseudopotentials 39. Pseudopotentials 1828.7287287287288
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  • Steps for generating PSP's 40. Steps for generating PSP's 1855.8558558558559
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  • Steps for generating PSP's 41. Steps for generating PSP's 1901.901901901902
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  • Steps for generating PSP's 42. Steps for generating PSP's 1920.0200200200202
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  • Steps for generating PSP's 43. Steps for generating PSP's 1938.1715048381716
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  • A clarification 44. A clarification 1969.8365031698365
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  • A clarification 45. A clarification 2003.7037037037037
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  • Some nice properties 46. Some nice properties 2046.8134801468136
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  • Some nice properties 47. Some nice properties 2077.7444110777446
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  • Scattering properties 48. Scattering properties 2125.6923590256924
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  • PSP pros and cons 49. PSP pros and cons 2245.0116783450117
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L6.1: Density Functional Theory, Solving Kohn-Sham

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