| Unit name | Advanced Applications of Computing in Chemistry |
|---|---|
| Unit code | CHEM30023 |
| Credit points | 20 |
| Level of study | H/6 |
| Teaching block(s) |
Teaching Block 4 (weeks 1-24) |
| Unit director | Dr. Fey |
| Open unit status | Not open |
| Units you must take before you take this one (pre-requisite units) |
CHEM20007 Core Concepts in Chemistry or CHEM20009 Core Concepts in Chemistry for Chemical Physics |
| Units you must take alongside this one (co-requisite units) |
None |
| Units you may not take alongside this one |
None |
| School/department | School of Chemistry |
| Faculty | Faculty of Science |
Why is this unit important?
Computers are everywhere in modern science and this unit focuses on real-world applications of modern computing in scientific research, including computational chemistry with an emphasis on modelling, implementation of theory in research software and for the control of instrumentation, automation of chemical synthesis and links with data-led experimental design, along with exploring data analysis approaches relevant to different areas of chemistry (geochemistry, atmospheric modelling, chemoinformatics, retrosynthesis etc.).
The unit covers a range of specialisations in chemistry that span the breadth of chemistry, intersect other disciplines (e.g. geochemistry, biochemistry, materials science, engineering, physics and nanotechnology) and highlight how chemistry underpins a wide range of modern science.
How does this unit fit into your programme of study?
This unit is an optional unit that exposes students to the breadth of applications of computing in chemistry. It can be chosen by students on the Chemistry, Chemistry with Scientific Computing and Chemical Physics programmes who wish to explore this interdisciplinary area as part of their studies.
An overview of content
This unit will explore a range of different areas where computing makes a crucial contribution to chemical research, provides insights about molecular structures and enables the generation, analysis and utilisation of data. We will explore some of the key computational chemistry approaches through their applications in different areas of chemistry. In addition, key examples from other application areas of computing, such as automation of chemical synthesis and links with data-led experimental design and data analysis approaches relevant to different areas of chemistry (geochemistry, atmospheric modelling, chemoinformatics, retrosynthesis etc.) will be reviewed.
How will students, personally, be different as a result of the unit
This unit aims to develop
Learning Outcomes
The unit will be delivered through lectures and workshops; depending on topic, some of the material may be delivered through flipped-teaching approaches delivered via a VLE, using the face-to-face interactions to support problem-based learning and group discussions. The assessed coursework will be inquiry-based and reflective, preparing students for reviewing the relevant literature and writing reports in a timely fashion, appropriate for a target audience with specialist knowledge.
Summary of approximate student workload:
Total: 200 hours
Tasks which help you learn and prepare you for summative tasks (formative):
Formative feedback will be provided on workshop answers and group work (ILOs 2-5) to improve assessment literacy.
Tasks which count towards your unit mark (summative):
The unit will be assessed by a combination of coursework (25%) and an end-of-year exam (75%). The coursework will involve researching and presenting an application of computing in chemistry, ILOs 1, 3-5.
When assessment does not go to plan
The re-assessment task will match the original assessment.
If this unit has a Resource List, you will normally find a link to it in the Blackboard area for the unit. Sometimes there will be a separate link for each weekly topic.
If you are unable to access a list through Blackboard, you can also find it via the Resource Lists homepage. Search for the list by the unit name or code (e.g. CHEM30023).
How much time the unit requires
Each credit equates to 10 hours of total student input. For example a 20 credit unit will take you 200 hours
of study to complete. Your total learning time is made up of contact time, directed learning tasks,
independent learning and assessment activity.
See the Faculty workload statement relating to this unit for more information.
Assessment
The Board of Examiners will consider all cases where students have failed or not completed the assessments required for credit.
The Board considers each student's outcomes across all the units which contribute to each year's programme of study. If you have self-certificated your absence from an
assessment, you will normally be required to complete it the next time it runs (this is usually in the next assessment period).
The Board of Examiners will take into account any extenuating circumstances and operates
within the Regulations and Code of Practice for Taught Programmes.
