Arbeitsgruppe Prof. Urbassek

Molekulares Modellieren


Klausureinsicht der Nachklausur DO, 26.4., 9-11 Uhr, in 46-154



Vortrag (Christian Mücksch)

Vortrag (alt) (Philipp Khuc Trong)


  • A. R. Leach. Molecular modelling - principles and applications (Pearson Education Ltd., Harlow, 2001), 2. Aufl. Contains also applications on "biological systems".
  • F. Jensen: Introduction to Computational Chemistry (Wiley 2007). Focus on methods in computational chemistry. Good introductory book if you want to focus on chemistry applications
  • D. Frenkel und B. Smit. Understanding molecular simulation (Academic, San Diego, 2002), 2. Aufl. Fairly recent book. Very good background and theory on MD, MC and Stat Mech. Applications are mainly on molecular systems
  • W. Demtröder. Moleküphysik (Oldenbourg, München, 2003). For the physics of small molecules.
  • M.P. Allen and Tildesley, "Computer Simulation of Liquids", Oxford Science Publishers. (mainly MD) Excellent book on Molecular Dynamics Simulation. Explains well the relevant Statistical Mechanics. A must if you will be doing MD.
  • C. J. Cramer: Essentials of Computational Chemistry - Theories and Models (Wiley, Chichester, 2004) 2nd edition. With a focus on chemistry issues.
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