To enhance the development of student employability skills and introduce students to molecular modelling techniques using examples from inorganic and organic chemistry.

By the end of the employability section of the course, students should be able to demonstrate both a familiarity with, and an understanding of, the importance of transferable skills to the work place.

By the end of the modelling section of the course students should be able to predict the ground state energy and structure of isolated molecules (not too complicated) and estimate equilibrium constants (ΔH = ΔE) for simple reactions

By the end of the modelling section of the course students should be able to rationalise some aspects of reactivity (charge density, frontier orbitals).

By the end of the modelling section of the course students should have some experience of modelling intermolecular forces and complexes.

Lecture - Lectures from module staff, other colleagues from around the institution or external speakers.

8 employability skills lectures and 4 molecular modelling lectures

Tutorials and workshops - Tutorials and workshops covering employability tasks and molecular modelling.

Employability tutorial sessions with module tutors across both semesters (3 x 2 hours and 1 x 1 hour). Employability whole class workshop sessions (3 x 2 hours supervised and 1 x 2 hours unsupervised). Molecular modelling computer based practicals (5 x 1 hour)

Lecture material (not necessarily in the order described below)

1. Introduction to the CHEM380 Employability Skills Resources in VITAL (given in Welcome week)

2. Introduction to the Facilities of the Careers Service

3. CV Preparation and Interview Technique

4. Good and Bad Practice in Job Interviews and Oral Presentations

5. MSc in Advanced Sciences at the University of Liverpool & Masters more generally

6. A pre sentation from Industry (external speaker - content varies)

7. A presentation from Teaching (external speaker - content varies)

8. Job Applications, the Selection Process and a look at the Chemical Industry  (internal/external speaker - content varies)

Tutorial/Workshop Sessions (Semester 1)

Week 2: Reflective thinking and evidencing (whole class - group work)

Week 3: Psycometric tests (tutorial groups)

Week 4: Evaluation of job application material (group work)

Week 6: a) Assessment centres (group work); b) intoduction of group project

Week 8/9 /11: Group project - interviews and the chemical industry (preparation and delivery)

Semester 2, week 4: Preparation and Delivery of a Four-Minute Presentation (semester 2)

VITAL exercises

These are all linked to the various lectures, workshops and tutorials. They include reflective pieces, surveys, application/interview preparation exercises and peer-to-peer feedback. 

Lecture / Workshop material

1a. Introduction: summary of techniques covered in the course, and sources for further reading.
1b. Quantum chemical methods 1: HF-SCF, basis sets.

2. Quantum chemical methods 2: Geometry optimisation, HF limit, CI, MP2, DFT.

3. Semi-empirical and empirical methods: AM1, PM3, conformational analysis.

4/5. Modelling non-covalent interactions: van der Waals, electrostatics, aromatic stacking, hydrogen bonding, cooperativity.

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Additional timetabled slots: During both semesters there are a few timetabled sessions which are entirely optional but are available to students to facilitate group work