Using atomic clustering based on structural and electronic descriptors that consider surrounding environment to evaluate local properties of DFT functionals.
Yuya NakajimaTakuto OhmuraJunji SeinoPublished in: J. Comput. Chem. (2024)
Keyphrases
- higher order
- structural information
- structural properties
- discrete fourier transform
- neural network
- genetic algorithm
- reinforcement learning
- structural features
- dynamic environments
- complex environments
- shape descriptors
- invariance properties
- data sets
- fourier transform
- keypoints
- object recognition
- video sequences
- computer vision