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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. 

Exams

It is compulsory to register for the exams. Registration is made through the student portal. More information and the exam schedule can be found on the page: Exams

Registration for the exams opens three weeks before the exam date and closes one week before the exam.

Course material and communication

All online course material can be found on Canvas. The majority of communication with the students is also carried out there, though some communication is also sent to your registered student email. You will only have access to the course in canvas after you have been registered. 

In case of absence

In case you are ill or will miss the mandatory labs for any other reason you should report this to the course assistant responsible for that lab, which is stated on the schedule. 

For PhDs

PhDs taking KEMM48 may also be interested in the PhD course "Advanced statistical thermodynamics and molecular simulation", NAKE016, 7.5 ETCS credits. In this more advanced course the student studies more in-depth the bridge between microscopic properties of single particles (Statistical Mechanics) and macroscopic properties (Thermodynamics) via four specialised topics and aims to build a deeper understanding of the link between interactions, dynamics, and thermodynamics.

Previous version

KEMM48 Statistical Thermodynamics and Molecular Simulation replaces KEMM38 Statistical Thermodynamics and Molecular Simulation from spring term 2020.

Course Coordinator

Martin Trulsson
046-222 45 01
martin.trulsson@teokem.lu.se

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

Other lecturers

Jan Forsman
046-222 03 81
jan.forsman@teokem.lu.se

Mikael Lund
046-222 31 67
mikael.lund@teokem.lu.se

Course assistants

Samuel Stenberg
samuel.stenberg@teokem.lu.se 

Stefan Hervö Hansen
stefan.hervo_hansen@teokem.lu.se 

Vidar Aspelin
vidar.aspelin@teokem.lu.se 

Course representative

Course evaluations

Please note that course evaluations for KEMM48 are written in Swedish. If you wish to have them translated contact the student reception

Course evaluation spring 2020