Reparameterization of Computational Chemistry Force Fields Using GloMPO (Globally Managed Parallel Optimization).
Michael Freitas GustavoToon VerstraelenPublished in: LION (2021)
Keyphrases
- computational chemistry
- optimization algorithm
- optimization method
- parallel processing
- optimization problems
- global optimization
- optimization process
- point sets
- real time
- parallel implementation
- data sets
- point correspondences
- genetic algorithm
- optimization methods
- machine learning
- constrained optimization
- parallel computing
- parallel hardware