Our tool uses neural network potentials to allow for efficient screening and structural relaxation of generated crystal candidates. Our pipeline consists of two distinct stages: random search, whereby ...

The Meta heuristic algorithms are the higher level technique which helps to find the best feasible solution out of all possible solution of an optimization problem. There are various different types ...

Developments were made to the basic Tabu Search to adapt it to the optimisation problem. This paper explains the contribution ...

We use genetic algorithms for the optimization of training set composition consisting of tens of thousands of small organic molecules. The resulting machine learning models are considerably more ...

In this paper, we propose a novel algorithm to improve uRLLWSNs’ performance by applying machine learning techniques and genetic algorithms. Using the K -means clustering algorithm to construct a ...