On a Direct Approach to the Solution of Inverse Optical Problems

The evaluation from experimental data, of physical quantities, which enter into the electromagnetic Maxwell equations, is described as inverse optical problem. The functional relations between the dependent and independent variables are of transcendental character and numeric procedures for evaluation of the unknowns are largely used. Herein, we discuss a direct approach to the solution, illustrated by a specific example of determination of thin films optical constants from spectrophotometric data. New algorithm is proposed for the parameters evaluation, which does not need an initial guess of the unknowns and does not use iterative procedures. Thus we overcome the intrinsic deficiency of minimization techniques, such as gradient search methods, Simplex methods, etc. The price of it is a need of more computing power, but our algorithm is easily implemented in structures such as grid clusters. We show the advantages of this approach and its potential for generalization to other inverse optical problems.

Application of Artificial Intelligence Methods to Computer Design of Inorganic Compounds

In this paper the main problems for computer design of materials, which would have predefined properties, with the use of artificial intelligence methods are presented. The DB on inorganic compound properties and the system of DBs on materials for electronics with completely assessed information: phase diagram DB of material systems with semiconducting phases and DB on acousto-optical, electro-optical, and nonlinear optical properties are considered. These DBs are a source of information for data analysis. Using the DBs and artificial intelligence methods we have predicted thousands of new compounds in ternary, quaternary and more complicated chemical systems and estimated some of their properties (crystal structure type, melting point, homogeneity region etc.). The comparison of our predictions with experimental data, obtained later, showed that the average reliability of predicted inorganic compounds exceeds 80%. The perspectives of computational material design with the use of artificial intelligence methods are considered.