Information for foreign students


UNIWERSITY OF WARSAW

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

07


Subject

Theoretical Chemistry-Specialization


No / course unit code


Semester

2M

Type of course

Laboratory


Teaching hours
 per semester    per week

120      8

ECTS credits

12


Lecturer:

Prof. dr. hab. Bogumił Jeziorski
Room: 504     Phone extn.: 209     email: jeziorsk@chem.uw.edu.pl

Teaching Division:

Theoretical Chemistry and Crystallography

Educational and
professional goals:

Acquiring the skill of using the basic computational techniques in computational chemistry.

Course description:

Students carry out six exercises selected by the supervisor of their specialization work. Each exercise involves learning some theoretical material, solving problems, and passing a final colloquium. The six exercises are selected from the following set: variational method, time-independent perturbation theory, SCF method, theory of electron correlation, coupled cluster method, DFT approach, permutation and unitary group approach to many-electron systems, theory of intermolecular forces, theory of molecular properties, time-dependent perturbation theory, semi-empirical methods, theory of rovibrational spectra, theory of relativistic effects, band structure theory, variants of Monte Carlo method, Monte Carlo simulations of polymer chains, molecular dynamics simulations of proteins, Monte Carlo simulations of membranes.

Required background:


Physical Chemistry I, Quantum Chemistry B, Energy Structure Reactivity.

Form of assessment:

Student gets a credit for the course according to the grades received after solving the assignment problems and after passing a final test.

Remarks:

-




Supervisor: Jadwiga Skupinska

Webmaster: Adam Myslinski