Matematik och Datavetenskap, Chalmers Tekniska Högskola och Göteborgs Universitet
Goal: Understand basic concepts of geometry and linear algebra in 3-D. Implementation of Newton's method. Finish project 1 (except perhaps the report).
Reading: EM2000 Ch 21 (corrections) and the first 6 pages of the article
A. Neumaier, Molecular Modeling of Proteins and
Mathematical Prediction of Protein Structure,
SIAM Review
39 (1997), 407-460.
(You find it here: ps or
pdf.)
Exercises:
basic: all exercises from Ch 21. Verify your solutions by matlab
computation whenever possible.
advanced:
Lecture 1.1: Introduction. Geometry in R3. The derivative (Jacobi matrix) Df(x) of a function f: Rn->Rm, numerical computation of the derivative, Newton's method.
Studio 1.1: Obligatory work:
Implementation of Newton's method for a
general system of equations.
This program will be used in "Inledande kemi" on Thursday.
Lecture 1.2: Geometry, linear algebra.
Studio 1.2: Project 1: molecule geometry.
Lecture 1.3: Geometry, linear algebra.
Studio 1.3: Project 1: molecule geometry
/stig