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cdft
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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
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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
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Updated
Jul 15, 2021 - Jupyter Notebook
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