OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS.
Seyed Hossein JamaliLudger WolffTim M. BeckerMariëtte de GroenMahinder RamdinRemco HartkampAndré BardowThijs J. H. VlugtOthonas A. MoultosPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- search space
- dynamic programming
- optimal solution
- np hard
- learning algorithm
- optimization algorithm
- improved algorithm
- computational complexity
- times faster
- k means
- cost function
- high accuracy
- neural network
- single pass
- computationally efficient
- linear programming
- experimental evaluation
- theoretical analysis
- significant improvement
- detection algorithm
- experimental study
- matching algorithm
- selection algorithm
- simulated annealing
- particle swarm optimization
- ant colony optimization
- path planning
- preprocessing
- similarity measure
- data sets