Numerical Methods for Chemical Engineering D-CAHB 2012 ====================================================== * **19.09.2012**: introduction; modeling, discretisation and numerical solution on an example; propagation of the round-offerrors in an iteration; quadrature; algebraic and exponential convergence, Landau O-notation; trapezoidal, Simpson, Gauss, Clenshaw-Curtis; composite quadrature; Theorem on error * **26.09.2012**: examples of quadrature (slides); adaptivity; ODEs, reduction tricks with examples; existence and unicity result; examples; explicit Euler method * **02.10.2012**: one-step methods (eE, iE, iMP, iTR); Stoermer-Verlet; velocity Verlet and leapfrog; structrure preservation; convergence order * **03.10.2012**: splitting methods, time-dependent Schroedinger equation, linear IVPs and linearisation, Runge-Kutta with examples (eTR, eMP), Butscher tableau * **10.10.2012**: general Runge-Kutta, adaptive time-stepping, ode45; stability and stiffness * **17.10.2012**: stiff problems and appropriate solvers; iterative methods, fix point iterations, Newton method * **27.10.2012**: Newton method, simplified Newton method, Broyden Quasi-Newton method; method of steepest descent, preconditioned conjugate gradient; started SVD * **31.10.2012**: singular value decomposition and PCA; orthogonality; QR-decomposition * **07.11.2012**: linear and non-linear least squares