Educational guide 2016_17
Facultade de Química
Grao en Química
 Subjects
  Numerical methods in chemistry
   Contents
Topic Sub-topic
Subject 1. *Introduction the analysis **numerica. Systems of numbering Need of the numerical methods. *Fontes And analysis of the error. Available *software.
Subject 2. Approximation of roots of equations of a variable. *Condicionamiento Of the calculation of roots. Methods of separation of roots- Method of the *bisection. Method of Newton-**Raphson. *Theorem of the point did.
Subject 3. *Numerical interpolation. The general problem of *interpolation. *Interpolation of *Lagrange. Error of *interpolation and excellent election of *nodes. *Interpolation **polinomial.
Subject 4. It adjust of curves. It adjust of data. Straight of regression by square minima. Approximation of functions by square minima. *Interpolation **polinomial to *pieces.
Subject 5. *Derivación And numerical integration. Diagrams of *derivación numerical *based in *interpolation. Formulas of *derivación *finite. Error of *derivación. Formulas of integration with *polynomial *interpolation. Error of integration. Formulas of *quadratures.
Subject 6. Numerical resolution of systems of equations. Direct methods of resolution of linear systems: *Gauss. Classical *iterative methods. Methods of descent: Máximo descend and *gradient *conjugado. Resolution of systems no linear.
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