These lectures will be watched/rewatched for ages. Thanks to Prof. Marzari for giving us his own interpretations of this topic and expnations of the intemaditating and dare I say abstract equations. Will be looking forward to more such lectures (never ever in my life the phrase: 'will be looking forward' meant this much).

Do you know if anybody has created a genetic algorithm optimization engine?

Thank you sir.

The PPT text is most straining to read. Not able to focus on talk either. Sorry Professor.

thanks

the video image is too poor, you need to fix it more

Thank you for this

How to extract all the structure from ICSD and COD database and screen based on specific criteria? Also, is there any other option to mine the data from ICSD without paying?

A truly excellent talk and researcher

Absolutely great lecture !

thank you

Thank you for such great talk and sharing it !

Great talks and discussion!

Thanks a lot for this highly informative lecture...:)

Can you describe a simplified method of installing aiidalab? All methods I have tried so far proved abortive

I am having problem installing the AiiDAlab app. Can you help with that?

25:30 why there are C number of electrons moving in y direction?

Hello Sir, Can you share your slides wıth me? Thank you!! [email protected]

I can't find the right words to express how much am I grateful to Prof. Marzari for this lecture. It is amazing, I'm finally understanding concepts that were giving me the hardest time

Where are the video recordings of tutorials sessions uploaded?

How to obtain the app?

0:31 What can be done with DFT 10:35 Accuracy in DFT 19:43 Hellmann-Feynman theorem - Linear response theory 31:11 Vibrational Frequencies - phonons 35:45 Spectroscopies 39:42 Properties at a given thermodynamic condition - effect of temperature 43:58 Analytical solution to vibrations in solids 52:55 Thermodynamical averages - MD (57:24) and MC (1:11:58) 1:24:32 Multi-scale multi-physics examples 1:42:38 Limitations and failures of DFT 1:58:39 Hubbard U approach 2:06:32 Spectral properties with a functional theory 2:11:47 Acknowledgements Thanks for this very nice talk!

3:01 Book recommendations 4:56 Recap from talk 1 8:00 XC hole in LDA 16:18 XC functionals 22:16 One-e differential eqs as linear algebra problem 37:05 Variational principle as a non-linear minimisation problem 39:32 Choice of basis sets 44:16 Bravais and reciprocal lattices 54:30 Bloch’s Theorem 1:07:03 Plane wave expansion and cutoff 1:28:39 Brillouin zone integration 1:45:39 Pseudopotentials 2:02:41 Smearing 2:18:10 Summary for homework 2:21:10 Self-consistency scheme Thanks for these talks!

Can you not submit multiple workfunctions (same function but different inputs/outputs) at a time to the Daemon then? For this you have to use Workchains?

Nice bro

Thanks, very well explained!

3:44 Introduction 12:50 Quantum Mechanics in 5 minutes 36:00 Hamiltonian in the adiabatic approximation 43:18 Electronic wavefunction - Informational challenge - variational principle 50:37 Hartree Equations 1:05:21 Computers at the time 1:10:05 Spin statistics - Exchange - Slater determinant 1:16:18 Hartree-Fock Equations 1:24:28 Reduced Density Matrices 1:29:31 Density Functional Theory 1:31:02 Thomas-Fermi approach - LDA 1:41:44 First HK Theorem 1:46:56 Second HK Theorem 1:51:23 Kohn-Sham formalism Great talk!

Thanks sir nice explanation

Fantastic resource👌, thanks Prof Marzari 🙌🏼

Thanks

Thank you for uploading! Learn a lots

Thanks for recording and uploading! I missing the streaming could review the webinar here.

Thanks for such valuable talk...👍

Hi, I have been trying to replicate this calculation however I get an error that "NameError: name 'Workchain' is not defined". Are there any formal definitions you made that are not in the video or any other lib you may have imported but are not in the video. Thank

Now the k-path finder link is not working