The ability to predict molecular geometries has important applications in chemistry. Specific examples include the areas of protein space structure elucidation, the investigation of host–guest interactions, the understanding of properties of superconductors and of zeolites. This prediction of molecular geometries often depends on finding the global minimum or maximum of a function such as the p...

Differential-Algebraic Constraints William R. Esposito and Christodoulos A. Floudas Department of Chemical Engineering, Princeton University, Princeton, N.J. 08544-5263,USA Differential-algebraic systems of constraints, in particular, initial value ordinary differential equations, appear in numerous optimization problems in the chemical engineering field. A difficulty in the solution of this fo...

Problems of planar covering with ellipses are tackled in this work. Ellipses can have a fixed angle or each of them can be freely rotated. Deterministic global optimization methods are developed for both cases, while a stochastic version of the method is also proposed for large instances of the latter case. Numerical results show the effectiveness and efficiency of the proposed methods.

The Harris Hawks optimization (HHO) is a population-based metaheuristic algorithm; however, it has low diversity and premature convergence in certain problems. This paper proposes an adaptive relative reflection HHO (ARHHO), which increases the of standard HHO, alleviates problem stagnation local optimal solutions, improves search accuracy algorithm. main features algorithm define nonlinear esc...

This paper proposes an improvement on the recently introduced Henry Gas Solubility Optimization (HGSO) metaheuristic algorithm that simulates Henry’s gas law (i.e., concentration of a sample in liquid solvent is proportional to phase). As improvement, we apply quantum theory instead standard procedure used HSGO for updating solutions. The proposed named as Quantum HGSO (QHGSO) this paper. sugge...