Module Details |
The information contained in this module specification was correct at the time of publication but may be subject to change, either during the session because of unforeseen circumstances, or following review of the module at the end of the session. Queries about the module should be directed to the member of staff with responsibility for the module. |
Title | FURTHER KEY SKILLS WITH MOLECULAR MODELLING (BSC.) | ||
Code | CHEM380 | ||
Coordinator |
Dr JW Gaynor Chemistry J.W.Gaynor@liverpool.ac.uk |
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Year | CATS Level | Semester | CATS Value |
Session 2017-18 | Level 6 FHEQ | Whole Session | 15 |
Pre-requisites before taking this module (or general academic requirements): |
Year 2 chemistry modules |
Aims |
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To enhance the development of student employability skills and introduce students to molecular modelling techniques using examples from inorganic and organic chemistry. |
Learning Outcomes |
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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. |
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By the end of the modelling section of the course students should have a qualitative understanding of ab initio, semi-empirical and empirical models, knowing which model is suitable for a particular type of problem.
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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 |
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By the end of the modelling section of the course students should be able to rationalise some aspects of reactivity (charge density, frontier orbitals). |
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By the end of the modelling section of the course students should have some experience of modelling intermolecular forces and complexes. |
Teaching and Learning Strategies |
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Lecture - Lectures from module staff, other colleagues from around the institution or external speakers. 11 employability skills lectures and 5 molecular modelling lectures. Lectures are delivered by a mixture of staff from around the university and wider industries and are considered compulsory. Lecture attendance and professionalism are considered the first part of a number of assignments and failure to attend lectures will result in students being unable to complete assignments in full. |
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Tutorials and workshops - Tutorials and workshops covering employability tasks and molecular modelling. Employability tutorials with tutors (3 x 2 hours); Employability whole class workshop sessions (2 x 2 hours); Molecular modelling computer based practicals (5 x 1 hour) |
Syllabus |
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1 |
Semester 1: Employability skills 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. Intellect
ual property 7. Peer review and using PeerMark (linked to summative peer review assignment) 8. Reflective practices (linked to summative reflective assignment) 9. Job applications, the selection process and a look at the chemical industry (internal/external speaker - content varies but usually chemical industry related) 10. A presentation from industry (external speaker - content varies. Often science related/wider talk) 11. A presentation from teaching (external speaker - content varies) Tutorial/Workshop Sessions (weeks may vary) Week 2: Evaluation of job application material (group work)Week 3: Preparation, delivery and critique of a four-minute presentation Week 4: a) Assessment centres; b) intoduction of group project (group work) Week 6/10: Group project (preparation and delivery) VITAL exercises These are all linked to the various lectures, workshops and tutorials. They include mini-employability tasks (possibly including, but not restricted to: surveys; visiting the careers service; CV preparation; interview scenario critique; psychometric test; etc), reflective pieces, 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. |
Recommended Texts |
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Reading lists are managed at readinglists.liverpool.ac.uk. Click here to access the reading lists for this module. Explanation of Reading List: |
Teaching Schedule |
Lectures | Seminars | Tutorials | Lab Practicals | Fieldwork Placement | Other | TOTAL | |
Study Hours |
16 Lectures from module staff, other colleagues from around the institution or external speakers. |
15 Tutorials and workshops covering employability tasks and molecular modelling. |
31 | ||||
Timetable (if known) |
11 employability skills lectures and 5 molecular modelling lectures. Lectures are delivered by a mixture of staff from around the university and wider industries and are considered compulsory. Lecture
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Employability tutorials with tutors (3 x 2 hours); Employability whole class workshop sessions (2 x 2 hours); Molecular modelling computer based practicals (5 x 1 hour)
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Private Study | 119 | ||||||
TOTAL HOURS | 150 |
Assessment |
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EXAM | Duration | Timing (Semester) |
% of final mark |
Resit/resubmission opportunity |
Penalty for late submission |
Notes |
CONTINUOUS | Duration | Timing (Semester) |
% of final mark |
Resit/resubmission opportunity |
Penalty for late submission |
Notes |
Coursework | Multiple tutorials, | Semester 1 | 50 | No reassessment opportunity | Standard UoL penalty applies | Employability There is no reassessment opportunity, Final year course - no opportunity to re-attempt the material |
Coursework | Five assignments dur | Semester 2 | 50 | No reassessment opportunity | Standard UoL penalty applies | Modelling There is no reassessment opportunity, Final year course - no opportunity to re-attempt the material Notes (applying to all assessments) Employability lectures, assignments, tutorials and workshops are closely interlinked. Structured group work will make up 40% of the module spread across both semesters (25% in the employability component and 15% in the modelling component). In addition, students will be given the option of working in pairs or individually for the first 4 modelling assignments. Peer evaluation methods will be used to distribute group marks fairly for the larger group assignments |