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This is a supplementary material for the paper
Paper title: Employing Neural Density Functionals to generate Potential Energy diagrams
Method
Method
Computational Result #1
Computational Result #1
Demonstrated method to obtain Potential Energy Surface using ML Functionals
Demonstrated method to obtain Potential Energy Surface using ML Functionals
PES of H20 obtained from DM21m
PES of H20 obtained from DM21m
Computational Result #2
Computational Result #2
Demonstrated method to obtain Potential Energy Surface using ML Functionals
Demonstrated method to obtain Potential Energy Surface using ML Functionals
PES of C4H8 obtained from DM21m
PES of C4H8 obtained from DM21m
Computational Result #3
Computational Result #3
Are ML Functionals competitive? ML vs Human designed functionals
Are ML Functionals competitive? ML vs Human designed functionals
PES of C4H8 : DM21m vs B3LPY
PES of C4H8 : DM21m vs B3LPY
Computational Result #4
Computational Result #4
Are ML Functionals competitive? ML vs Human designed functionals
Are ML Functionals competitive? ML vs Human designed functionals
PEC of O2
PEC of O2
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