How is computational modelling used in modern society and industry? Can computer modelling replace experimental work? Computational modelling and simulations are increasingly used by industry to complement experimental work and can be used to provide unique insight, especially when experiments are expensive, dangerous or prohibited. In this module you will be introduced to a range of cutting-edge modelling and simulation approaches that chemistry practitioners may encounter throughout their career in aid of solving complex chemical problems and in driving the design processes for new biomolecules, photovoltaic cells and bio-degradable polymers, supporting a range of topical global challenges.
Lecture 14 hours, Practical 60 hours
2 hours Test. Assessment Details: VLE Test worth 20%.
1,500 words Short Writing Piece. Assessment Details: Problem Sheet worth 20%.
3000 words Report. Assessment Details: Laboratory Report worth 60%.
N/A Practical Competency. Assessment Details: Laboratory Attendance worth Pass/Fail%. This Assessment is Pass Compulsory.
Reassessment Method: 100% Written Assessment (2,000 words).
* Students must repeat the module in attendance the following academic year if they fail the laboratory attendance Pass/Fail component. This is due to PSRB laboratory practical hours requirements.
On successfully completing the module, students will be able to:
1. Critically disscuss how computational modelling and simulation play an important role in modern chemistry practice and provide unique insights in material design.
2. Use modelling and simulation methods to aid with the solution of challenges that exist in modern industry and society
3. Reflect upon and apply critical thinking to chemical scenarios where evaluations must be made on the basis of limited information
4. Critically reflect on and plan modelling and simulation experiments
5. Critique and communicate the accuracy and reliability of modelling and simulation experiments.
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