Thanks, it's useful. I suggest you make a video by using QuantumESPRESSO and DFT on how to get HUMO and LUMO and absorbing energy and everything related to the interaction between molecules
very helpful tutorial. but what if i want to modify the structure by replacing one of the carbon atoms with other atom for example zinc metal? how to edit?
This graphene and brophene is very useful to me ❤
It's ability to survive in any situation
Thanks, it's useful. I suggest you make a video by using QuantumESPRESSO and DFT on how to get HUMO and LUMO and absorbing energy and everything related to the interaction between molecules
Thank you very much for your videos. It's really helpful since i'm self taught. Could you make a video about k-points?
Regards
I'm glad you found these useful. I'll try to make one soon.
very helpful tutorial. but what if i want to modify the structure by replacing one of the carbon atoms with other atom for example zinc metal? how to edit?
Please make some videoes on MD simulation... specially water metal interface kind of stuff.. pls
Thank you for your request! All I can say is I will be posting some MD videos soon but can't promise anything