Data-driven and constrained optimization of semi-local exchange and nonlocal correlation functionals for materials and surface chemistry.
Kai TrepteJohannes VossPublished in: J. Comput. Chem. (2022)
Keyphrases
- constrained optimization
- data driven
- constrained optimization problems
- mechanical properties
- constraint handling
- objective function
- unconstrained optimization
- stainless steel
- penalty function
- special case
- image denoising
- interval analysis
- augmented lagrangian
- penalty functions
- denoising
- inequality constraints
- iterative methods
- image restoration
- stationary points
- geometric constraints
- optimization algorithm
- lagrange multipliers
- structure from motion
- closed form solutions
- lagrange multiplier method
- neural network