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Plot of the Rosenbrock function of two variables. Here a = 1 , b = 100 {\displaystyle a=1,b=100} , and the minimum value of zero is at ( 1 , 1 ) {\displaystyle (1,1)} . In mathematical optimization , the Rosenbrock function is a non- convex function , introduced by Howard H. Rosenbrock in 1960, which is used as a performance test problem for ...
An interpretation of the Rosenbrock System Matrix as a Linear Fractional Transformation can be found in. [4] One of the first applications of the Rosenbrock form was the development of an efficient computational method for Kalman decomposition, which is based on the pivot element method.
The idea of Rosenbrock search is also used to initialize some root-finding routines, such as fzero (based on Brent's method) in Matlab. Rosenbrock search is a form of derivative-free search but may perform better on functions with sharp ridges. [6] The method often identifies such a ridge which, in many applications, leads to a solution. [7]
In applied mathematics, test functions, known as artificial landscapes, are useful to evaluate characteristics of optimization algorithms, such as convergence rate, precision, robustness and general performance.
In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities , such as bond length or bond angle .
An overview of the different components included in the field of chemical biology. Chemical biology is a scientific discipline between the fields of chemistry and biology.The discipline involves the application of chemical techniques, analysis, and often small molecules produced through synthetic chemistry, to the study and manipulation of biological systems. [1]
These dimensionless thermodynamic coordinates, taken together with a substance's compressibility factor, provide the basis for the simplest form of the theorem of corresponding states. [1] Reduced properties are also used to define the Peng–Robinson equation of state, a model designed to provide reasonable accuracy near the critical point. [2]
ICM also is a programming environment for various tasks in computational chemistry and computational structural biology, sequence analysis and rational drug design.The original goal was to develop algorithms for energy optimization of several biopolymers with respect to an arbitrary subset of internal coordinates such as bond lengths, bond angles torsion angles and phase angles.