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A constrained variational approach to the designing of low transport band gap materials: A multiobjective random mutation hill climbing method
Kanchan Sarkar
, Rahul Sharma
, S. P. Bhattacharyya
Chemical Engineering and Materials Science
Research output
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Contribution to journal
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Article
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peer-review
9
Scopus citations
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Dive into the research topics of 'A constrained variational approach to the designing of low transport band gap materials: A multiobjective random mutation hill climbing method'. Together they form a unique fingerprint.
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Keyphrases
Band Gap Materials
100%
Band Gap
100%
Random mutation
100%
Hill Climbing
100%
Variational Approach
100%
Polythiophene
60%
Polyselenophene
60%
Material-based
20%
Semiconductors
20%
Aromatics
20%
Total Energy
20%
Quinoid
20%
Electronic Structure Calculations
20%
Chromophore
20%
Energy Difference
20%
Electron-deficient
20%
Adaptive mutation
20%
Constrained Minimization Problem
20%
HOMO-LUMO Energies
20%
Constraint Variational Method
20%
Material Science
Band-Gap Material
100%
Polythiophene
100%
Electronic Structure Calculation
33%
Chemical Engineering
Oligomer
100%
Chromophore
100%
Engineering
Band Gap
100%
Structure Calculation
14%
Aromatics
14%
Energy Difference
14%
Oligomer
14%
Electronic State
14%
Chromophore
14%
Lowest Unoccupied Molecular Orbital
14%
Neuroscience
Oligomer
100%