Computational Chemistry, 7.5 Credits
About the course
The course includes computer-based calculations in chemistry. The course integrates theory with computational exercises applied in the fields of environmental chemistry, protein chemistry and medicinal chemistry.
Students are provided with knowledge of quantum chemistry, molecular mechanics, bioinformatics and theoretical characterization of molecules. The course covers the methods used to calculate the geometric and electronic structures of compounds. It provides both theory and practical application of essential concepts in quantum chemistry and molecular mechanics. Computer-based applications to organic molecules in quantum chemistry will be described and discussed. Focus in molecular mechanics is on the description and discussion of practical applications of organic molecules including proteins. The bioinformatic section of the course deals with building and using databases of biological information, protein sequence comparisons and 3D structure comparisons. The theory behind the techniques and assessment of the quality of the sequence comparison are treated and discussed. The theoretical characterization of the molecules links all sections of the course, i.e., quantum chemistry, molecular mechanics and bioinformatics.
Level of Education: Advanced
Notes: The course will be given in english if foreign students participate.
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Department of Chemistry
