First cycle
degree courses
Second cycle
degree courses
Single cycle
degree courses
School of Science
CHEMISTRY
Course unit
THEORETICAL CHEMISTRY
SCP9087641, A.A. 2019/20

Information concerning the students who enrolled in A.Y. 2019/20

Information on the course unit
Degree course Second cycle degree in
CHEMISTRY
SC1169, Degree course structure A.Y. 2018/19, A.Y. 2019/20
N0
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Degree course track Common track
Number of ECTS credits allocated 6.0
Type of assessment Mark
Course unit English denomination THEORETICAL CHEMISTRY
Department of reference Department of Chemical Sciences
Mandatory attendance No
Language of instruction English
Branch PADOVA
Single Course unit The Course unit can be attended under the option Single Course unit attendance
Optional Course unit The Course unit can be chosen as Optional Course unit

Lecturers
Teacher in charge DIEGO FREZZATO CHIM/02

ECTS: details
Type Scientific-Disciplinary Sector Credits allocated
Core courses CHIM/02 Physical Chemistry 6.0

Course unit organization
Period Second semester
Year 1st Year
Teaching method frontal

Type of hours Credits Teaching
hours
Hours of
Individual study
Shifts
Lecture 6.0 48 102.0 No turn

Calendar
Start of activities 02/03/2020
End of activities 12/06/2020
Show course schedule 2019/20 Reg.2018 course timetable

Examination board
Examination board not defined

Syllabus
Prerequisites: Basic knowledge in chemistry, physics and mathematics.
Target skills and knowledge: The course develops the theoretical basis for the comprehension of molecular processes in condensed phases and for the interpretation of spectroscopic measurements.
Examination methods: Oral examination, with the possibility to analyse a specific problem and discuss a brief report on it.
Assessment criteria: Evaluation will be based on the level of understanding of basic formal methods shown by the student, and on the capability of applying such methods to specific physico-chemical problems
Course unit contents: 1. Description of molecular stochastic dynamics: theory of stochastic processes, Fokker-Planck equation, stochastic differential equations; tools for the numerical solution; correlation functions and spectral densities; stochastic chemical kinetics.

2. Laws of transformation under rotation: change of representation of scalar, vector and tensor properties under rotation of the reference frame; rotation of scalar fields; rotational stochastic dynamics.

3. Linear response theory: response of a classical system to weak perturbations.

4. Open quantum system dynamics: response theory, Master Equation, formal treatment of spectroscopic observables.

5. Stochastic Thermodynamics: work fluctuation theorems and applications.
Planned learning activities and teaching methods: Frontal lectures and hands-on activities
Lectures will be held in English or Italian depending on the presence of international students or the specific requests of the students enrolled.
Additional notes about suggested reading: Frontal lectures and hands-on activities.

Books to be consulted:

Szabo, A., and N.S. Ostlund. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dover Publications, 2012.

Weiss, U. Quantum Dissipative Systems. World Scientific, 2008.

Zwanzig, R. Nonequilibrium Statistical Mechanics. Oxford University Press, New York, 2001.

Gardiner, C. W. Handbook of stochastic methods, 3rd ed. Springer-Verlag, 2004.

Rose, M. E. Elementary Theory of Angular Momentum. Dover Publications, 1995.

Sekimoto, K. Stochastic Energetics, Lecture Notes in Physics Vol. 799. Springer, 2010.
Textbooks (and optional supplementary readings)

Innovative teaching methods: Teaching and learning strategies
  • Lecturing
  • Case study
  • Loading of files and pages (web pages, Moodle, ...)

Innovative teaching methods: Software or applications used
  • Matlab

Sustainable Development Goals (SDGs)
Quality Education