NSGA-III genetic optimization of LJ force field parameters for TBP, accelerated by a neural network surrogate, achieves 23% average error on thermophysical properties.
Buildingforcefields: An automatic, systematic, and reproducible approach
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Molecular Dynamics Force Field Genetic Optimization for Tri-n-butyl Phosphate Liquid
NSGA-III genetic optimization of LJ force field parameters for TBP, accelerated by a neural network surrogate, achieves 23% average error on thermophysical properties.