#
cdft
Here are 4 public repositories matching this topic...
It illustrates applications of a nonmean-field density functional theory to two types of ultrasmall liquid droplets: one is stabilized in a container of finite size and the other is unstable as appeared during vapor—liquid nucleation
-
Updated
Sep 14, 2024 - Shell
Ph.D. in Theoretical and Computational Chemistry at IIT Kharagpur, PDRA-I at SNBNCBS, PDF-I at IIT Bombay, PDF-II at uOttawa, Visiting at UW
machine-learning deep-learning dft magnetism tddft abinitio-simulations cdft catalysis carbon-capture-sequestration aromaticity liesst metal-organic-framework qsar-qspr-qstr ultrafast-click-chemistry-reactions ultracold-reactions metastable-compounds hydrogen-storage microsolvation superalkalis-superhalogens pso-fa-ga-sa-bh
-
Updated
Jul 15, 2021 - Jupyter Notebook
Improve this page
Add a description, image, and links to the cdft topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the cdft topic, visit your repo's landing page and select "manage topics."