FHI-aims Tutorial Series (Online)

Contribution List

12. M. Scheffler: Introduction to Electronic Structure Theory

25/08/2021, 15:00

The basics of electronic structure theory with FHI-aims

13. V. Blum: Numeric Atom-centered Orbitals and How to Use them

25/08/2021, 16:15

The basics of electronic structure theory with FHI-aims

19. Hands-on Tutorial: Setup-Session

25/08/2021, 17:30

The basics of electronic structure theory with FHI-aims

Tutors: Saeed Bohloul, Volker Blum, Jakob Filser, Sebastian Kokott, Konstantin Lion, Evgeny Moerman, Mohammad Nakhaee

14. Recap of day 1

26/08/2021, 15:00

The basics of electronic structure theory with FHI-aims

15. Hands-on Tutorial

26/08/2021, 15:15

The basics of electronic structure theory with FHI-aims

Tutors: Saeed Bohloul, Volker Blum, Jakob Filser, Sebastian Kokott, Konstantin Lion, Evgeny Moerman, Mohammad Nakhaee

16. Hands-on Tutorial

26/08/2021, 17:00

The basics of electronic structure theory with FHI-aims

Tutors: Saeed Bohloul, Volker Blum, Jakob Filser, Sebastian Kokott, Konstantin Lion, Evgeny Moerman,Mohammad Nakhaee

17. Xingou Ren: Random-phase approximation

22/09/2021, 15:00

Beyond DFT in FHI-aims (RPA, GW, and BSE)

18. D. Golze: Excited State Formalisms for Charge Carriers / GW

22/09/2021, 16:15

Beyond DFT in FHI-aims (RPA, GW, and BSE)

20. Hands-on Tutorial: Setup-Session

22/09/2021, 17:30

Beyond DFT in FHI-aims (RPA, GW, and BSE)

Tutors: Dorothea Golze, Yi Yao, Mohammad Nakhaee, Levi Keller, Jakob Filser, Konstantin Lion, Saeed Bohloul

21. Recap of day 1

23/09/2021, 15:00

Beyond DFT in FHI-aims (RPA, GW, and BSE)

22. Hands-on Tutorial

23/09/2021, 15:15

Beyond DFT in FHI-aims (RPA, GW, and BSE)

Tutors: Dorothea Golze, Yi Yao, Mohammad Nakhaee, Levi Keller, Jakob Filser, Konstantin Lion, Saeed Bohloul

23. Hands-on Tutorial

23/09/2021, 17:00

Beyond DFT in FHI-aims (RPA, GW, and BSE)

Tutors: Dorothea Golze, Yi Yao, Mohammad Nakhaee, Levi Keller, Jakob Filser, Konstantin Lion, Saeed Bohloul

48. Ville Havu: Numerical Methods for DFT and Beyond (linear scaling integration and RI)

27/10/2021, 15:00

Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems)

49. Victor Yu: Large-Scale Electronic Structure Methods (ELPA, ELSI)

27/10/2021, 16:15

Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems)

53. Hands-on Tutorial: Setup-Session

27/10/2021, 17:30

Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems)

50. Recap of day 1

28/10/2021, 15:00

Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems)

51. Hands-on Tutorial

28/10/2021, 15:15

Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems)

52. Hands-on Tutorial

28/10/2021, 17:00

Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems)

54. K. Reuter: Ab Initio Thermodynamics and Heterogeneous Catalysis

24/11/2021, 15:00

Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces

55. Yuanyuan Zhou: Ab initio thermodynamics: Replica-Exchange Grand-Canonical Method

24/11/2021, 16:15

Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces

56. Hands-on Tutorial: Setup-Session

24/11/2021, 17:30

Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces

57. Recap of day 1

25/11/2021, 15:00

Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces

58. Hands-on Tutorial

25/11/2021, 15:15

Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces

59. Hands-on Tutorial

25/11/2021, 17:00

Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces

60. M. Rossi: Forces, ab initio MD with I-PI

12/01/2022, 15:00

Forces and ab initio MD with i-PI

61. Hands-on Tutorial: Setup-Session

12/01/2022, 16:15

Forces and ab initio MD with i-PI

66. Recap of day 1

13/01/2022, 15:00

Forces and ab initio MD with i-PI

67. Hands-on Tutorial

13/01/2022, 15:15

Forces and ab initio MD with i-PI

68. Hands-on Tutorial

13/01/2022, 17:00

Forces and ab initio MD with i-PI

69. Matthias Scheffler: Making the Data Revolution Happen – How Sharing and FAIRification Is Changing the Science Already Today

09/02/2022, 15:00

FAIRmat Tutorial on Managing Data

70. Markus Scheidgen: Publish and Explore data with NOMAD (Hands-On Tutorial)

09/02/2022, 15:45

FAIRmat Tutorial on Managing Data

73. Questions and Answers on last days exercises

10/02/2022, 10:00

FAIRmat Tutorial on Managing Data

74. Questions and Answers on last days exercises

10/02/2022, 16:00

FAIRmat Tutorial on Managing Data

65. C. Carbogno: Phonons, electron-phonon coupling, heat and charge transport

23/03/2022, 15:00

Phonons, electron-phonon coupling, heat and charge transport

81. Hands-on Tutorial: Setup-Session

23/03/2022, 16:45

Phonons, electron-phonon coupling, heat and charge transport

62. Recap of day 1

24/03/2022, 15:00

Phonons, electron-phonon coupling, heat and charge transport

63. Hands-on Tutorial

24/03/2022, 15:15

Phonons, electron-phonon coupling, heat and charge transport

64. Hands-on Tutorial

24/03/2022, 17:00

Phonons, electron-phonon coupling, heat and charge transport

75. Sergei V. Kalinin: The Impact of Artificial Intelligence on Materials Research

06/04/2022, 15:00

The NOMAD Artificial-Intelligence Toolkit: Interactively reproducing published results

82. Luca Ghiringhelli, Luigi Sbailò: Hands-on Tutorial

06/04/2022, 15:45

The NOMAD Artificial-Intelligence Toolkit: Interactively reproducing published results

79. Questions and Answers on last days exercises

07/04/2022, 10:00

The NOMAD Artificial-Intelligence Toolkit: Interactively reproducing published results

80. Questions and Answers on last days exercises

07/04/2022, 16:00

The NOMAD Artificial-Intelligence Toolkit: Interactively reproducing published results

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