lu.se

Grundutbildning i kemi

Lunds universitet

Denna sida på svenska This page in English

KEMM48 Statistical thermodynamics and molecular simulation

The course is worth 7.5 credits and runs at half speed during the first half of the spring semester.

The course is about understanding and deriving macroscopic (thermodynamic) properties, such as pressure and phase behaviour, based on the atomic/microscopic properties of a large number of molecules (using statistical mechanics or statistical thermodynamics).

Students also acquire a basic and rigorous understanding of entropy, free energy and temperature. In the course you learn more about the principles of both molecular dynamics (MD) and Monte Carlo (MC) simulations and how they are used in modern chemistry research. 

Schedule

Course material and communication

The course uses the learning plattform Canvas, which you will find via the link: Canvas.education.lu.se

The course page will open for students admitted to the course on week before the course starts.

More information on how to use Canvas can be found on: Using Canvas - student guide

 

Course Coordinator

Course literature

R. Kjellander,
Statistical Mechanics of Liquids and Solutions: Intermolecular Forces, Structure and Surface Interactions
Volume I, CRC Press, ISBN 978-1482244014 

D. Frenkel & B. Smit,
Understanding Molecular Simulation
2nd ed., Academic Press, ISBN  978-0-12-267351-1

Finns som e-bok via www.lub.lu.se