Department of Chemistry course timetable

The combination of modern computing power and density functional theory (DFT) has made it possible to explore the mechanisms and catalytic cycles of complex organic and organometallic reactions. These lectures will provide a practical introduction to performing DFT calculations to elucidate reaction mechanisms. Other applications of DFT calculations will be discussed such as computing spectra and structure identification.

These lectures will be accompanied by a workshop that will show the user how to perform DFT calculations and how to use the data generated by these calculations to draw conclusions about reaction mechanisms. No prior computational experience is required.

A ‘recommended’ optional course introducing electronic databases SciFinder and Reaxys presented by Professor Jonathan Goodman comprising of presentation followed by hands-on investigation.

Personal registration required for access to SciFinder. Please see the prerequisites.

These are the accompanying workshops that will show the user how to perform DFT calculations and how to use the data generated by these calculations to draw conclusions about reaction mechanisms. No prior computational experience is required.

The aim of this course is to provide an idea of what kind of scientific problems can be solved by solid state NMR. It will cover how NMR can be used to study molecular structure, nanostructure and dynamics in the solid state, including heterogeneous solids, such as polymers, MOFs, energy-storage and biological materials. No previous knowledge of solid state NMR will be required, just a basic working knowledge of solution-state NMR for 1H and 13C, i.e. undergraduate level NMR. In order to highlight the utility of this technique, some materials based research using solid state NMR will also be covered.

The aim of this course is to provide an idea of what kind of scientific problems can be solved by solid state NMR. It will cover how NMR can be used to study molecular structure, nanostructure and dynamics in the solid state, including heterogeneous solids, such as polymers, MOFs, energy-storage and biological materials. No previous knowledge of solid state NMR will be required, just a basic working knowledge of solution-state NMR for 1H and 13C, i.e. undergraduate level NMR. In order to highlight the utility of this technique, some materials based research using solid state NMR will also be covered.

Probe microscopy is a general term for a class of microscopy in which well-defined nanoscale probes are used to interact with a sample in some manner. In this introductory lecture the necessary background principles to understand probe microscopy are explained with reference to Scanning Tunnelling Microscopy and Atomic Force Microscopy in both tapping and contact mode. This will provide the user with the necessary background to make the most of the increasingly well-used Departmental Keysight 5500 multimode system, which is operated and maintained by the Melville Lab. Probe microscopy is of interest to anyone with a need to perform single molecule or surface based studies. Typically anything involving a surface interaction is accessible and the technique is particularly well suited to studying a variety of chemical and electromechanical properties of aggregates with 1-1000 nm dimensions. Recently, the system has been used to study cellulose crystals, amyloid fibres, protein monolayers, thermal properties of polymer films, doped graphite and so on.

Other modes are available on the Keysight system such as pico-trec, electrochemical STM, EFM, KFM, MFM, and LFM and these modes will be described but not explained in detail during the lecture.

These lectures will introduce the basics of crystallography and diffraction, assuming no prior knowledge. The aim is to provide an overview that will inspire and serve as a basis for researchers to use the Department’s single-crystal and/or powder X-ray diffraction facilities or to appreciate more effectively results obtained through the Department’s crystallographic services. The final lecture will be devoted to searching and visualising crystallographic data using the Cambridge Structural Database system.

These lectures will introduce the basics of crystallography and diffraction, assuming no prior knowledge. The aim is to provide an overview that will inspire and serve as a basis for researchers to use the Department’s single-crystal and/or powder X-ray diffraction facilities or to appreciate more effectively results obtained through the Department’s crystallographic services. The final lecture will be devoted to searching and visualising crystallographic data using the Cambridge Structural Database system.

FS1 - Successful Completion of a Research Degree An hour devoted to a discussion of how to plan your time effectively on a day to day basis, how to produce a dissertation/thesis (from first year report to MPhil to PhD) and the essential requirements of an experimental section.

FS2 - Dignity@Study The University of Cambridge is committed to protecting the dignity of staff, students, visitors to the University, and all members of the University community in their work and their interactions with others. The University expects all members of the University community to treat each other with respect, courtesy and consideration at all times. All members of the University community have the right to expect professional behaviour from others, and a corresponding responsibility to behave professionally towards others. Nick will explore what this means for graduate students in this Department and the session will conclude with tea/coffee and biscuits, in order to provide an opportunity to ask questions more informally.

This is a compulsory session for 1st year post-graduates.

These lectures will introduce the basics of crystallography and diffraction, assuming no prior knowledge. The aim is to provide an overview that will inspire and serve as a basis for researchers to use the Department’s single-crystal and/or powder X-ray diffraction facilities or to appreciate more effectively results obtained through the Department’s crystallographic services. The final lecture will be devoted to searching and visualising crystallographic data using the Cambridge Structural Database system.

Probe microscopy is a general term for a class of microscopy in which well-defined nanoscale probes are used to interact with a sample in some manner. In this introductory lecture the necessary background principles to understand probe microscopy are explained with reference to Scanning Tunnelling Microscopy and Atomic Force Microscopy in both tapping and contact mode. This will provide the user with the necessary background to make the most of the increasingly well-used Departmental Keysight 5500 multimode system, which is operated and maintained by the Melville Lab. Probe microscopy is of interest to anyone with a need to perform single molecule or surface based studies. Typically anything involving a surface interaction is accessible and the technique is particularly well suited to studying a variety of chemical and electromechanical properties of aggregates with 1-1000 nm dimensions. Recently, the system has been used to study cellulose crystals, amyloid fibres, protein monolayers, thermal properties of polymer films, doped graphite and so on.

Other modes are available on the Keysight system such as pico-trec, electrochemical STM, EFM, KFM, MFM, and LFM and these modes will be described but not explained in detail during the lecture.

The first session will describe the basics of electron diffraction and the main differences from X-ray and neutron diffraction, particularly as regards the strength of the interaction and the complications caused by multiple scattering. The advantages of the method in determining unit cell dimensions will also be discussed.

Session two will concentrate on the advantages conferred by forming images with electrons but also on the inherent problems such as the effect of aberrations on the ultimate resolution. If there is sufficient time, a consideration of the information available in high resolution images will be made.

The first session will describe the basics of electron diffraction and the main differences from X-ray and neutron diffraction, particularly as regards the strength of the interaction and the complications caused by multiple scattering. The advantages of the method in determining unit cell dimensions will also be discussed.

Session two will concentrate on the advantages conferred by forming images with electrons but also on the inherent problems such as the effect of aberrations on the ultimate resolution. If there is sufficient time, a consideration of the information available in high resolution images will be made.

The main aim of giving a presentation to the public or a science venue is to present information in a way that the audience will remember at a later time. There are several ways in which we can improve this type of impact with an audience. This interactive lecture explores some of those mechanisms.

This compulsory course will equip you with the skills required to manage the research information you will need to gather throughout your graduate course, as well as the publications you will produce yourself. It will also help you enhance your online research profile and measure the impact of research.

A short break for refreshments will be included

This compulsory session introduces Research Data Management (RDM) to Chemistry PhD students. It is highly interactive and utilises practical activities throughout.

Key topics covered are:

• Research Data Management (RDM) - what it is and what problems can occur with managing and sharing your data.
• Data backup and file sharing - possible consequences of not backing up your data, strategies for backing up your data and sharing your data safely.
• Data organisation - how to organise your files and folders, what is best practice.
• Data sharing - obstacles to sharing your data, benefits and importance of sharing your data, the funder policy landscape, resources available in the University to help you share your data.
• Data management planning - creating a roadmap for how not to get lost in your data!

Lunch and refreshments are included for this course

The main aim of giving a presentation to the public or a science venue is to present information in a way that the audience will remember at a later time. There are several ways in which we can improve this type of impact with an audience. This interactive lecture explores some of those mechanisms.

A thorough awareness of issues relating to research ethics and research integrity are essential to producing excellent research. This session will provide an introduction to the ethical responsibilities of researchers at the University, publication ethics and research integrity. It will be interactive, using case studies to better understand key ethical issues and challenges in all areas. There are three sessions running, you need attend only one.

This course is made up of 8 sessions which will be based around the topics below: unlike other courses in the Graduate Lecture Series, it is essential to attend all 8 sessions to benefit from this training. Places are limited so please be absolutely certain upon booking that you will commit to the entire course.