What a clear and concise way to describe all of this. The logic just flows. Great job, Astrid, you would make a wonderful teacher if you ever decide to teach, in my humble opinion.
@StrathTV5 жыл бұрын
isnt that what she is doing?
@habaminu4 жыл бұрын
1:35 Computational material science 2:58 Fundamentals of DFT 4:23 ground state 8:24 Many particle problem 9:31 DFT 11:14 DFT theory - Hohenberg and Kohn 12:41 Energy functionals 14:23 Kohn Sham scheme 20:02 Cutoff energy 23:15 KPOINTS 26:03 Pseudopotential 27:36 Periodic boundary conditions 29:30 PART 2 29:44 VASP 31:21 VASP input files 33:20 Example 39:54 VASP output files 42:31 Obtaining reliable total energy 44:36 DFT as theoretical microscope 48:11 Looking through the DFT microscope 48:58 Summary
@alaaayad82924 жыл бұрын
Is it possible to get ppt file of this amazing presentation? thanks
@Deepakumari-yg7me3 жыл бұрын
I want to ppt ,please send me ppt at my email-vivekpratapsngh@gmail.com
@alaaayad82923 жыл бұрын
Please me too, I need a ppt file for this great lecture. Would you mind send it to me to this email : alaaayad.eps@utq.edu.iq
@beyondboundaries23 жыл бұрын
Hello .. who got the ppt file. Kindly please share with me .. tok2magz@gmail.com
@suhail16962 жыл бұрын
Help with ppt pls ... Send at khansuhail2101@gmail.com
@Higgsinophysics3 жыл бұрын
She makes this topic easy to understand. What a talented teacher!
@iaismail57963 жыл бұрын
Would love to see more quantum chem seminar style lectures from Astrid. I've recommended this video to every grad student I know. Very concise and intuitive. I love it!
@chuanqizhu17945 жыл бұрын
A wonderful introduction to DFT calculation! Worth watching many times. Thank you so much!
@raisulinaburningcity5 ай бұрын
definitely the most intuitive video on DFT ever. great work
@aayushgautam49195 жыл бұрын
Thank you for the wonderful presentation Astrid! I'm just an undergrad beginner in DFT from Nepal and your presentation does give a ground idea about DFT to build upon. What a serendipity I found this video.
@sarojsharma5974Ай бұрын
What you doing these days buddy?
@aayushgautam4919Ай бұрын
@@sarojsharma5974 hello! I am doing PhD in astronomy. So, I did not continue in the field of DFT or computational materials science. But its a great field and the video is a great resource.
@sarojsharma5974Ай бұрын
@@aayushgautam4919 I have a query brother. About job opportunities after masters within industries in usa or australia. How hard or easy for freshers? I have no experience, just a degree of msc physics. I studied advanced solid state physics.
@abedhaidar43025 жыл бұрын
I must say watching this seminar for the third time and enjoying every second of it
@matchem91783 жыл бұрын
Thank you very much for sharing such a beautiful talk. Love when knowledge is shared like this, from people that are SO passionate about. I will begin myself a project on DFT calculations during my Master courses and I used this as a short intro on the topic. So useful!
@madeleinesutherland16236 жыл бұрын
Astrid, you are a wonderful lecturer - clear, concise, fun to listen to. You're what I aspire to be. This video was helpful as I was biting my nails wondering if I'll be able to follow my DFT class in the fall. Lol to your comment "solving the many-body Schrodinger equation becomes a bit of a hassle" ;)
@jairgodinez30152 жыл бұрын
Great video, I am from México and now starting work in my first article necessary to graduate, this is a very good introduction to study systems of low dimensionality.
@lyamlikeji8 жыл бұрын
I really love this presentation, the logic is clear, the girl's sound is sweet, especially her laugh makes the presentation not boring.
@cbmusgrave3 жыл бұрын
Great job Astrid. BTW - "CAR" refers to "card", meaning Fortran cards that were once submitted in decks to computers to give them the instructions of the job you were running.
@yyc34916 жыл бұрын
Very nice introduction for the beginner. Thank you so much!
@liambird91127 жыл бұрын
This is a fantastic presentation - thanks so much! It was pitched at just the right level for my understanding and everything was explained really clearly. I agree with one of the other comments that you would be an excellent teacher or lecturer :)
@user-ci4fm1co8f3 жыл бұрын
I appreciate your lecture! Such a nice lecture for DFT beginners.
@ilhameassahsahi43614 жыл бұрын
What an excellent and clear presentation!! A very good entry point to get into the subject.
@zoubirbenkhanouche5753 Жыл бұрын
send me document of DFt pleas
@chandru678914 жыл бұрын
One of the great introductions ever I have watched for VASP... Precise and very informative for beginners....Thank you
@andreig91163 жыл бұрын
Watching with tears (almost) What a beautiful explanation by Astrid, it was so bad and tedious on my last DFT course
@adelal-salihy945110 ай бұрын
An excellent presentation on DFT calculation! Many thanks!
@nikarko016 жыл бұрын
I'm material science too! And I love DFT :) "Plain and simple quantum mechanics building the world!" Good Luck with your Phd I liked the lesson
@mithgil-cool2 жыл бұрын
Thank you for your understandable presentation! I have learned a lot from you.
@mro58586 жыл бұрын
Very clear, coherent, and in detail description of such a complicated topic. That's great. Thank you. Hope to make more videos even short, from the VASP software, in particular.
@nisarmuhammad3135 жыл бұрын
too much clear, I wish if you could make a serious of material simulation (ab-initio simulation) videos, it will help us a lot, its best video ever.
@eirinlandsem99603 жыл бұрын
Gosh, thankyou for making this a bit more comprehensible!!!
@ahmedsabry19756 жыл бұрын
Great job, I couldn't think of bitter, you helped me to get into the subject, I will start from here to go to a more detailed study of the DFT and it's application, and do my first DFT research Thank you
@tleta7 жыл бұрын
This is Sholl's Chapter 1 brought to life :)
@aborgeshonorato4 жыл бұрын
Would you kindly let me know the Bibliography you mentioned here . Iam begginer .
@naytrog4 жыл бұрын
@@aborgeshonorato it's just the book she mentioned at the end of the presentation.
@SamOween5 жыл бұрын
i have my viva in 2 days and this video is saving me, wish me luck guys! hahahaha
@joshzheng59345 жыл бұрын
The pictures in ppt are perfect!
@MrDagonzin3 жыл бұрын
Indeed!
@MarcusAu3relio5 жыл бұрын
Thank you, this really helped me a lot.
@mohdshanu8035 жыл бұрын
Really well organised ppt...I watched it's first part and I really learnt new things and I enjoyed the dft...it's really a beautiful kit to solve sch. Eq...
@satyamchoudhuryres.scholar1116Ай бұрын
Wonderful !!! Your the best. Theoretical Microscope coined perfectly
@cy-ti8ln3 жыл бұрын
Astrid, thank you for this crystal clear explaination. I very firstly understand DFT in a meaningful manner after your explaination :D
@prasadchhapkhane66233 ай бұрын
Please do a lecture series covering briefly every basic aspect of DFT with some demonstrations
@yuyan94435 жыл бұрын
WOO! That's very helpful one! I just in my first year in my DFT research. Need to know further! But this video was a nice begin for me! THX and happy new year!
@andreialexander405 Жыл бұрын
great presentation, thank you very much Astrid!
@tauceti83417 жыл бұрын
20:58 periodic functions can be expanded using a Fourier series 23:01 convergence testing
@Fisherdec5 ай бұрын
great lecture. Not boring at all 👏👏
@riccardoguareschi71153 жыл бұрын
The density is the integral of psi*psi over N-1 variables. Over there you put the normalisation
@am.shopping780 Жыл бұрын
that was the best dft explanation everrrrr thank u very much
@gbenrosolola27047 жыл бұрын
Very clear and straight forward presentation, you will indeed be a great teacher, thanks somuch
@xiakang5437 жыл бұрын
i love her and her pronunciation. I have watched the video 5 times.
@user-yp9fy9gv9e6 жыл бұрын
very very clear. 36:30 NSW : the maximum number of ionic steps
@atifafroz1821Ай бұрын
great Astrid......
@Rgbutubeuser2 жыл бұрын
Very nice explanation... Need more talks like that.
@panking20094 жыл бұрын
@Astrid Marthinsen CAR might stand for term "CARD"...i.e. note to define a specific information...like position information, potential information as inputs
@chemistryforsociety3448 Жыл бұрын
Absolutely fantastic..... Thank you so much
@xavierbotines23972 жыл бұрын
Thanks in advance for this video. I get to understand a bit more about DFT theory.
@nourachouaimet31713 жыл бұрын
Very clear presentation. Thank you so much
@heartking1013 жыл бұрын
Do you have VASP software ?
@imihsanulhaq11 ай бұрын
Fantastic. Useful and concise about DFT and VASP. I must admit, I was click baited by Astrid's and I enjoyed the video, she's lovely.
@sherazkhaliq13322 жыл бұрын
Great lecture Astrid.
@mohammadaqib403010 ай бұрын
Thank you for such in-depth explanation :)
@sohamshirodkar94633 жыл бұрын
Perfect content and presentation ! Really nice work !
@jyotiredhu69675 жыл бұрын
This is really wonderful... so eaisly u cover all about DFT. May i got this ppt link...
@hafeezurrehman43114 жыл бұрын
are u a dft student
@bablukumarghosh-97349 ай бұрын
Basic quantum theory can be used as DFT.
@hilalkucuk5 Жыл бұрын
It is an excellent explanation. Thanks a lot.
@joelb53775 жыл бұрын
Awesome lecture Astrid! Thanks!
@AhmedRowaey7 жыл бұрын
Very clear presentation. Thank you.
@salmanuzaman75616 жыл бұрын
very nice presentation,many concepts are clear .thank you very much
@dissociate_d7 жыл бұрын
Super clear presentation, it was really helpful. Thanks for this!!
@bradoquethomassales96454 жыл бұрын
A apresentadora é muito divertida, animada apresentação. Legal.
@ricardodelima87053 жыл бұрын
Great presentation!!
@aungphonemaung18945 жыл бұрын
WOW very nice lecture you can explain well such a difficult theorem . thank you so much sir.
@asgharali-hs5rl4 жыл бұрын
vary intersting and informative help me great
@huonghuongnuquy7272 Жыл бұрын
Thank you very much about this amazing lecture !
@samafari81684 жыл бұрын
excellent presentation. best ever intro to dft.
@panchomancorleone7 жыл бұрын
Wonderful presentation. Excellent job.
@skavud17 жыл бұрын
Concise, clear, and comprehensive!
@SH-rm8br5 жыл бұрын
Thank you for clear explanation!!!
@dannyalejandrobarahonapail6223 жыл бұрын
Amazing !! This video helped me a lot.
@abkabk8633 жыл бұрын
thank you for this excellent presentation
@TrendTrackers111Ай бұрын
Good explanation
@Computational_chemistry199810 ай бұрын
Very good!!!
@abdulhaseebfaridi27216 жыл бұрын
too much clear , i wish if you could make a serious of material simulation (abi-initio simulation) vedios , it will help us a lot
@vivianafaridedovalefarelo36477 жыл бұрын
Best video ever ! Thank you !
@ahmedmahmoud-we9gp3 жыл бұрын
This is fantastic representation
@bayanalqassem71424 жыл бұрын
Thank You. Your talk is amazing
@mirajsheikh4614 Жыл бұрын
is it possible to get presentation of this marvelous lecture? Thanks in anticipation
@suyueyuan86594 жыл бұрын
Very clear for beginners👍
@techanddesignnikhil4 жыл бұрын
Thank you for this useful nutshell.....
@aliphysicsforall62013 жыл бұрын
Excellent job...
@omermutasim12004 жыл бұрын
what an amazing presentation ! Can anyone suggest links for informative DFT videos like this ?
@ahmadmajed73744 жыл бұрын
Thank you! That was really informative.
@ahmedhamad80104 жыл бұрын
i need to one answer me, for Eknow{ psi}=, why do not add psi* to this therm
@lazaroa.m.castanedo11164 жыл бұрын
I am assuming that INCAR means input file in cartesian coordinates (similar to a pdb file)
@cbmusgrave3 жыл бұрын
IN does mean input, but CAR does not mean Cartesian. CAR refers to "card" and the old days when programs and input files were Fortran cards. That's why "CAR" shows up for each of the different types of VASP control files.
@zanderzander4682 жыл бұрын
I also thought it meant cartesian, because back then when it was written in the late 80s at MIT everything was written in cartesian coordinates and they just kept this convention. At least I learned it in school like that. But idk exactly, I never asked anyone from VASP ^^
@jacobvandijk65252 жыл бұрын
Question: Isn't any potential (energy) describing an interaction?
@biswajitsamanta7007 жыл бұрын
Very nice presentation......
@muhammadhassan-uk2ml3 жыл бұрын
How we obtain the single electron wave function from kohn sham equation?
@mohammadabuallan20455 жыл бұрын
great lec and very clear really , thank you
@sagheerahmad32506 ай бұрын
I need notes of fundamental of DFT
@a222584613 жыл бұрын
brilliant clear!
@SuperCuteAnimeWaifu4 жыл бұрын
Thank you.
@soumyajyotikundu71472 жыл бұрын
Thank you so much ☺️
@sooryas93017 жыл бұрын
Nice presentation..Thank you
@user-rr9or5dk4m2 жыл бұрын
I cannot understand 11:10 why density turns from 3N to 3 dimension. What means "point charge"?
@zanderzander4682 жыл бұрын
If you look at the equation there you can see that the wave function depends on the coordinates of all electrons, so its a 3N dimensional problem. So you need to know all the coordinates of all the N electrons. If you look at the electron density, it doesn't depend on the coordinates of all electrons. The vector r "shows one position in space" where you can define the concrete electron density at that position. So it's a (usually) 3 dimensional problem. You don't need to know all positions of all electrons anymore, because you're just looking at the electron density, which kind of means "how many electrons will be on average in that position". And you can actually measure the electron desity with STM, so at a certain position you have a certain electron density and it changes if you change the coordinates of the observed position. And point charge means that you have an electric charge that is considered to exist at a single point, and thus having neither area nor volume. So for instance the charge is not smeared over an area, but is just at a single point. Hope it was understandable and right and hope that it helped :)
@omurgokcinar41875 жыл бұрын
Hi is it possible to get the PPT?
@pradeepbhetwal79015 жыл бұрын
very clear concept about DFT for begineer like me. Can I get the ppt