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Education in Chemistry

Lund University

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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. 

Course material and communication

The course use the teaching plattform Canvas to communicate with students registered on the course.
All available course material can be found on Canvas. 

The teaching plattform Canvas - canvas.education.lu.se

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