Taught: Semester 1 (Sep to Jan) View Timetable
Year running 2026/27
Completion of level 2 of a Chemistry programme such as that at Leeds, or equivalent
| CHEM2331 | Molecules, Energy, Quanta and Change |
CHEM2231
This module is not approved as a discovery module
Starting from the postulates of quantum mechanics and building from simple models, to atoms, to molecules, students will gain an understanding and appreciation of how and why chemical bonding occurs, and how it impacts our understanding of chemistry. Students will learn how computational chemistry techniques, rooted in theories of quantum mechanics and bonding, can be used to predict molecular structures and properties.
On completion of this module, students should be able to:
Demonstrate an understanding of the fundamentals of quantum mechanics applied to medicinal chemistry.
Be able to use chemical software which applies quantum mechanics in drug design and optimisation.
On successful completion of the module students will have demonstrated the following learning outcomes:
1. Explain classical mechanics models of molecular structure and their application in drug and macromolecular modelling.
2. Explain quantum mechanical models of atomic and molecular orbitals and how these account for molecular structure.
3. Use software to optimise chemical structures using molecular mechanics and electronic structure approaches, and to estimate values of different parameters.
On successful completion of the module students will have demonstrated the following skills :
a. Solve complex unknown problems
This module introduces theoretical and computational models used to describe molecular systems in chemistry and biochemistry. Students will learn the fundamentals of quantum mechanics and molecular mechanics, focusing on how these approaches are applied to predict molecular structure, bonding, and properties of relevance to medicinal chemistry, e.g., drug design. Topics include the Schrödinger equation, potential energy surfaces, optimization of nuclear coordinates, molecular orbital theory for polyelectronic molecules, and the calculation of properties such as electron distributions, reactivity, and spectroscopic characteristics, activity correlations (QSAR & QSPR), solvation and entropy effects. The emphasis is on conceptual understanding and practical relevance rather than detailed mathematical derivations.
Methods of assessment
The assessment details for this module will be provided at the start of the academic year
| Delivery type | Number | Length hours | Student hours |
|---|---|---|---|
| Lecture | 11 | 1 | 11 |
| Practical | 11 | 1 | 11 |
| Private study hours | 78 | ||
| Total Contact hours | 22 | ||
| Total hours (100hr per 10 credits) | 100 | ||
Check the module area in Minerva for your reading list
Last updated: 30/04/2026
Errors, omissions, failed links etc should be notified to the Catalogue Team