CH3717 Statistical Mechanics and Computational Chemistry

Academic year

2024 to 2025 Semester 1

Further information on which modules are specific to your programme.

Key module information

SCOTCAT credits

10

The Scottish Credit Accumulation and Transfer (SCOTCAT) system allows credits gained in Scotland to be transferred between institutions. The number of credits associated with a module gives an indication of the amount of learning effort required by the learner. European Credit Transfer System (ECTS) credits are half the value of SCOTCAT credits.

SCQF level

SCQF level 9

The Scottish Credit and Qualifications Framework (SCQF) provides an indication of the complexity of award qualifications and associated learning and operates on an ascending numeric scale from Levels 1-12 with SCQF Level 10 equating to a Scottish undergraduate Honours degree.

Planned timetable

To be arranged.

This information is given as indicative. Timetable may change at short notice depending on room availability.

Module coordinator

Dr T Van Mourik

This information is given as indicative. Staff involved in a module may change at short notice depending on availability and circumstances.

Module Staff

Dr T van Mourik, Dr J B O Mitchell

This information is given as indicative. Staff involved in a module may change at short notice depending on availability and circumstances.

Module description

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-requisites

BEFORE TAKING THIS MODULE YOU MUST PASS CH2701 AND PASS AT LEAST 1 MODULE FROM {CH2501, CH2601, CH2603}

Anti-requisites

YOU CANNOT TAKE THIS MODULE IF YOU TAKE CH3716

Assessment pattern

2-hour Written Examination = 100%

Re-assessment

Oral Re-assessment = 100%

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

98

The number of compulsory student:staff contact hours over the period of the module.

Guided independent study hours

52

The number of hours that students are expected to invest in independent study over the period of the module.

Intended learning outcomes

  • Be familiar with the basic ideas of statistical mechanics
  • Be able to describe and interpret macroscopic thermodynamic quantities in microscopic / atomistic terms.
  • Be familiar with computational chemistry techniques that are used in modern drug design processes
  • Be familiar with the use of computational chemistry in the design and development of drugs