Fundamentals of theories underpinning such methods

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Reference no: EM133087913

Molecular Modelling

Knowledge
• Appreciate the range of modelling methods available to tackle chemical problems.
• Know the fundamentals of theories underpinning such methods.
• Identify the key results obtained from calculations, and interpret these with regard to the physics/chemistry of the problem.

Understanding
• Realise the strengths and limitations of various modelling methods for tackling chemical problems.
• Understand the scope of particular methods, appreciate the errors involved and how to estimate and control such errors
• Appreciate the trade-off between accuracy and computational resources.

Reference no: EM133087913

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