Computational Chemistry
Time: 9:10 a.m. - 10:00 a.m. MWF
Room: 183 Chemistry
Office Hours: arrange by email
Link to the course web site
Lectures taught by me:
Lab sessions taught by me:
Recommended books:
Andrew Leach:
Molecular Modelling. Principles and Applications
Tamar Schlick:
Molecular Modeling and Simulations. An Interdisciplinary Guide
M. P. Allen, D. J. Tildesley:
Computer Simulations of Liquids
Daan Frenkel, Berend Smit:
Understanding Molecular Simulation
Recommended papers:
Michael Feig:
Molecular Simulation Methods: Standard Practices and Modern Challenges
PDF
W. F. van Gunsteren, A. E. Mark:
Validation of molecular dynamics simulations
PDF
D. L. Beveridge, F. M. DiCapua:
Free Energy via Molecular Simulation: Applications to Chemical
and Biomolecular Systems
PDF
P. Kollman:
Free Energy Calculations: Applications to Chemical and Biochemical Phenomena.
PDF
A. Mitsutake, Y. Sugita, Y. Okamoto:
Generalized-ensemble algorithms for molecular simulations of biopolymers
PDF
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