Deterministic global optimization

C.D. Maranas, IP. Androulakis and C.A. Floudas, A deterministic global optimization approach for the protein folding problem, pp. 133-150 in Global minimization of nonconvex energy functions molecular conformation and protein folding (P. M. Pardalos et al., eds.), Amer. Math. Soc., Providence, RI, 1996. 

Floudas CA (2000) Deterministic Global Optimization Theory, Methods and Applications, Kluwer Academic Publishers. 

We start with continuous variable optimization and consider in the next section the solution of NLP problems with differentiable objective and constraint functions. If only local solutions are required for the NLP problem, then very efficient large-scale methods can be considered. This is followed by methods that are not based on local optimality criteria we consider direct search optimization methods that do not require derivatives as well as deterministic global optimization methods. Following this, we consider the solution of mixed integer problems and outline the main characteristics of algorithms for their solution. Finally, we conclude with a discussion of optimization modeling software and its implementation on engineering models. 

Maranas, C. D. and C. A. Floudas. A Deterministic Global Optimization Approach for Molecular Structure Determination. J Chem Phys 100 1247-1261 (1994). 

Floudas, C.A. Deterministic Global Optimization Kluwer Academic Publishers Boston, MA, 1999. 

Floudas, C.A. (2000) Deterministic Global Optimization - Theory, Methods and Applications, Kluwer Academic Publishers, DordrechtFontalvo, J. (2014) Using user models in MATLAB within the aspen plus interface with an excel link. Ingenieria EInvestigacion, 34 (2), 39-43. 

New methods for global optimization are continually generating interest in chemical engineering. Recent advances in deterministic global optimization methods for the enclosure of all solutions of non linearly constrained problem allow us to consider a wide range of chemical engineering optimisation problems Floudas (1999). 

DETERMINISTIC GLOBAL OPTIMIZATION AND AB INITIO APPROACHES FOR THE STRUCTURE PREDICTION OF POLYPEPTIDES, DYNAMICS OF PROTEIN FOLDING, AND PROTEIN-PROTEIN INTERACTIONS... 

In the sequel, we first outline the basics of the deterministic global optimization approach, aBB, which has been used extensively to study the protein structure prediction, dynamics of protein-protein folding, and protein docking problems. This is followed by a comprehensive study of ab initio modeling for structure prediction of single-chain polypeptides in Section III. An... 

A common characteristic of deterministic global optimization algorithms is the progressive reduction of the domain space until the global solution has been... 

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