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CH3717   Statistical Mechanics and Computational Chemistry

Academic year(s): 2018-2019

Key information

SCOTCAT credits : 10

ECTS credits : 5

Level : SCQF Level 9

Semester: 1

Planned timetable: To be arranged.

This module combines the study of statistical mechanics with an introduction to theoretical and computational methods as applied in modern chemistry. In the first set of lectures the molecular basis of thermodynamics is covered in an introduction to the study of statistical mechanics. The use of computational chemistry in the modern drug design process will then be discussed, covering force field calculations, molecular docking, QSAR and virtual screening.

Relationship to other modules

Pre-requisite(s): Before taking this module you must pass CH2701 and pass at least 1 module from {CH2501, CH2601, CH2603}

Anti-requisite(s): You cannot take this module if you take CH3716

Learning and teaching methods and delivery

Weekly contact: 1 - 3 lectures per week over 9 - 10 weeks within Weeks 1-11 and 2 - 3 tutorials in total.

Scheduled learning hours: 17

Guided independent study hours: 83

Assessment pattern

As used by St Andrews: 2-hour Written Examination = 100%

As defined by QAA
Written examinations : 100%
Practical examinations : 0%
Coursework: 0%

Re-assessment: Oral Re-assessment = 100%

Personnel

Module coordinator: Dr T Van Mourik
Module teaching staff: Dr T van Mourik, Dr J B O Mitchell