This module aims to develop essential skills that MSc students will need for both the duration of the programme and beyond, whether this be further education opportunities (ie., PhD) or employment in a wide range of chemical and non-chemical based sectors.

(LO1) By the end of the molecular modelling section of the module, a successful student will have gained:
• a qualitative understanding of ab initio, semi-empirical and empirical models, knowing which model is suitable for a particular type of problem;
• some experience of modelling intermolecular forces and complexes .

(LO2) By the end of the employability section of the module, students will be able to
* self-evaluate their employability needs
* design the types of activities they need to complete for improving employability
* deliver a presentation
* construct a portfolio of evidence

(LO3) By the end of the module, students should be able to use scientific databases effectively for literature and citation searches and to find relevant information from on-line chemical databases regarding chemical reactions, structures and properties. They should be able to apply the database skills in writing a report drawing from scientific literature.

(S1) Communication skills

(S2) Lifelong learning skills

(S3) Organisational skills

(S4) IT skills

(S5) Commercial awareness

Attendance will be recorded at all in-class sessions. There is a large element of working independently during this course.

Molecular modelling: Two lectures, two assignments and a feedback session. The two assignments to be completed after the lectures with assistance available in the optional workshops. Model answers to assignments will be released and individual feedback given.

Employability: One presentation and the completion of various employability related activities, some of which are highly personalised which will be evidenced in a reflective portfolio. Detailed rubrics will be available in advance and individual feedback given.

Databases: Eight e-lectures, two assignments and one report. The two assignments to be completed after a 4 e-lecture block of material with assistance available during two 3h computer-based workshop sessions. The report will be completed after some guidance is offered. General feedback will be released to all students and individua l feedback will be offered.

lectures 10 hr
workshops 12 hr

MOLECULAR MODELLING: This section will be the responsibility of Dr Richard Bonar Law. The lectures and workshops will cover:
• Introduction: Summary of techniques covered in the course, and sources for further reading.
• Molecular Mechanics using force-fields
• Modelling non-covalent interactions: van der Waals, electrostatics, aromatic stacking, hydrogen bonding, cooperativity.

EMPLOYABILITY: This section will be the responsibility of Dr James Gaynor via three main types of activities.
• Short Presentation using PowerPoint.
• Portfolio and CANVAS exercises: Activities linked to engaging with commercial awareness and engaging with a series of application and portfolio exercises. These exercises are arranged through short recordings from course staff, wider university colleagues and external speakers, and linked to a particular activity. Timings and content will vary from year to year based on available speakers and changing trends of desirable employability skills, but activities possibly include, but are not restricted to, the following; an introduction to the careers and employability department; skill articulation for application preparation materials; interview technique; intellectual property; industry lectures; resilience and social media; commercial awareness; assessment centres; CV preparation; psychometric test; video interviewing software; peer review processes etc. Students will have a choice of which activities to complete and the portfolio includes collation and reflection on the tasks chosen.

DATABASES: This section will be the responsibility of Dr David L. Cooper and Prof Neil Berry. The material will be covered mostly in a self-study process using up to eight e-lectures and online guidance. The material covered will progressively build in complexity to prepare students for their research projects during semesters 2/3, and will include:
• A genera l introduction to the literature, text-based search processes using databases such as Web of Science and Google Scholar, and academic referencing using Endnote.
• Structure and text-based combination searches using databases such as Reaxys with an initial focus on small molecules, inorganic salts and simple organometallics and searching using chemical properties, reactions, stereochemistry, generic groups and reagents
• Advanced structure-based searches using Reaxys with a consideration of more advanced molecules utilising atom mapping, non-standard bonding (e.g. cyclopentadiene) and variable atoms.
• The introduction of patents and additional databases such as SciFinder and Crytallographic databases.