Information for foreign students


UNIWERSITY OF WARSAW

1 Pasteura Str., 02-093 Warsaw, Poland, phone: +48 (0)22 822 02 11

16


Subject

Numerical and Statistical Methods
in Chemistry. II. Statistical Methods


No / course unit code


Semester

5

Type of course

Lecture


Teaching hours
 per semester    per week

15            1

ECTS credits

1


Lecturer:

Prof. dr hab. Andrzej Leś
Room: 535    Phone extn.: 201    email: ales@chem.uw.edu.pl

Teaching Division:

Theoretical Chemistry and Crystallography

Educational and
professional goals:

Designed for students who wish to acquire knowledge in numerical and statistical methods as well as to learn the skills which are necessary to solve computational problems of chemical sciences.

Course description:

Basic concepts of random variables theory. Random number generators. Sample chemical problems affected by random components. Integration by means of the Monte Carlo method. Metropolis's algorithm of thermodynamic function estimation. Rule of random error propagation. Characteristic function. Central limit theorem. Estimators of distribution function parameters. Maximum likelihood method. Linear and nonlinear Least Squares method. Statistical hypothesis testing. Significance tests for equality of means, medians and variances. Confidence limits. Regression, correlation. One-way and Two-way Analysis of Variance . Structure-activity relationships (QSAR). Basic concepts of artificial intelligence ( neural networks, genetic algorithms, pattern recognition) methods for chemical applications.

Required background:


Mathematics, physics and chemistry (1st and 2nd year chemistry).

Form of assessment:


Test

Remarks:

Recommended for Chemical Informatics and Modeling students.




Supervisor: Jadwiga Skupinska

Webmaster: Adam Myslinski