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Chemistry: Machine Learning in Chemistry 101 new Tue 14 Jan 2020   13:00 Finished

This graduate-level course gives an overview of machine learning (ML) techniques that are useful for solving problems in Chemistry, and particularly for the computational understanding and predictions of materials and molecules at the atomic level.

In the first part of the course, after taking a quick refresher of the basic concepts in probabilities and statistics, students will learn about basic and advanced ML methods including supervised learning and unsupervised learning.

During the second part, the connection between chemistry and mathematical tools of ML will be made and the concepts on the construction of loss functions, representations, descriptors and kernels will be introduced.

For the last part, experts who are actively using research methods to solve research problems in chemistry and materials will be invited to give real-world examples on how ML methods have transformed the way they perform research.

Chemistry: Philosophy for Chemists Mon 14 Oct 2019   12:00 Finished

Science is a striking, successful and powerful feature of contemporary human cultures: it has transformed lives, enabled great technological feats and often revealed the world to be a much stranger place than appearances suggest. But what is science, really, and how and why has it been so successful? This 3 week course aims to introduce graduate students to some main themes in the philosophy of science generally, and the philosophy of chemistry in particular.

Lecture 1. What Is Science?

What makes science scientific? Is there something distinctive about scientific investigation which distinguishes it from other things humans do? Does science give us infallible knowledge? Or at least the kind of knowledge that always gets better? These questions will be discussed in relation to the views of some well-known philosophers of science including Karl Popper and Thomas Kuhn.

Lecture 2. Measurement

Measurement is the foundation of any quantitative empirical science. We make all sorts of measurements routinely in the lab, but there are actually deep difficulties in knowing if our instruments and procedures correctly measure what we intend to measure. The epistemological issues involved here will be discussed through various scientific examples, including temperature and pH.

Lecture 3. Reductionism

Does all science ultimately boil down to fundamental physics? This is a pertinent issue to all areas of science, but an urgent one especially for chemistry. Considering the success of quantum chemistry one might imagine that chemistry is just applied physics, but the matter is not so simple. Looking at the longer history of the attempts to reduce chemistry to physics will also be instructive.

Chemistry: Quantum Computing new Mon 10 Feb 2020   14:00 Finished

Lecture 1 - Fundamentals of Quantum Computing A short summary of all the basic quantum computing knowledge needed to do quantum chemistry on a quantum computer.

Lecture 2 - Encoding chemistry systems in quantum computers

  • Second quantization
  • Jordan-Wigner and Bravyi-Kitaev transforms
  • Molecular orbital encoding
  • State Preparation

Lecture 3 - Quantum algorithms for energy calculations

  • NISQ: Variational quantum algorithms
  • Future: Phase Estimation algorithms

Lecture 4 - Advanced quantum chemistry quantum computing algorithms

  • Excited Algorithms: QSE, Constrained Minimisation, etc
  • Special Ansatz using symmetry
  • Imaginary time evolution
  • TBA

To see a list of all upcoming Physical Chemistry Seminars please visit their webpage

You can also subscribe to these talks and download them to your calendar from the Talks webpage

To see a list of all upcoming Biological Chemistry Seminars please visit their webpage

You can also subscribe to these talks and download them to your calendar from the Talks webpage

To see a list of all upcoming Materials Chemistry Seminars please visit their webpage

You can also subscribe to these talks and download them to your calendar from the Talks webpage

To see a list of all upcoming Synthetic Chemistry Seminars please visit their webpage

You can also subscribe to these talks and download them to your calendar from the Talks webpage

Chemistry: SC1-10 Statistics for Chemists Wed 15 Jan 2020   10:00 Finished

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.

Chemistry: SF1 Departmental Safety Induction Mon 7 Oct 2019   11:00 Finished

The Departmental Advanced Safety Training covers basic induction training in how to work safely, including emergency arrangements for fire and evacuation, first aid and incidents including flood and gas leak. By attending, you are made aware of the Department’s Health and Safety Policy and your responsibilities under health and safety law. You will be introduced to the process required to prepare a risk assessment with standard operating procedure (SOP) or method statement, how to select the correct type of protective equipment (PPE) and why it needs to be worn, and reminded of the importance of good house keeping for reducing the likelihood of there being an incident. The hazards associated with display screen equipment (DSE) and manual handling are identified and the need to control them by a suitable and sufficient assessment of the risk is explained. Electrical safety and the requirement for annual Portable Appliance Testing (PAT) is made clear.

Chemistry: SF2 University Chemical Safety Training Mon 7 Oct 2019   13:30 Finished

Part of Induction Week

Advanced induction training for experimentalists introduces some of the department’s special chemical hazards including explosives, hydrogen fluoride and cyanide, and restricted chemicals, and illustrates the consequences of incorrect waste disposal. Experimentalists are made aware of the biological hazards in the department and how these are controlled with a suitable risk assessment, safety cabinets and the need for the appropriate inactivation method to be applied. Attendees are alerted to the hazards and damage caused by non-ionising radiation, glassware and sharps, oil baths and lifting equipment. The induction concludes by directing the experimentalist to compulsory University-provided specialist training courses, the requirement for fire awareness training and sources of Health and Safety information.

Chemistry: SF4 Pressurised Gas & Cryogens Tue 8 Oct 2019   09:00 Finished

This course will cover safe storage and use of cryogens, safe use and stores of compressed gas, and aspects of oxygen depletion with respect to the above.

Chemistry: SF5 Introduction to Demonstrating Wed 9 Oct 2019   11:00 Finished

We view demonstrating to undergraduate students as a key part of postgraduate education.

Demonstrating is compulsory for 1st and 2d year postgraduate students with the right background (we do not wish to place anybody in the undergraduate laboratories for whom this would be inappropriate).

Demonstrating is also open to all MPhil, 3rd/4th year graduate students and postdoctoral researchers.

Master Time and Focus - Wellbeing event new Thu 21 Jun 2018   12:00 Finished

'Enhance focus, reduce stress, use time more wisely and be more productive.

Learn to:

  • Establish a method that works for you to enhance focus for the most important work (Deep Work)
  • Reduce distraction and prioritise more effectively
  • Establish 1 daily high quality mini break, to relieve stress, reduce self criticism and strengthen resilience
  • Create the space to recognise your achievements each day - increase self awareness and confidence
  • Combining proven neuroscience & mindfulness based techniques into useful daily habits.
run new Tue 29 Oct 2019   09:30 Finished

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Single Cell RNA Sequencing new Mon 2 Mar 2020   16:00 Finished

The course will outlay bioinformatic analysis of cell populations from single-cell RNA including visualisation, clustering and functional analysis of genes. This will be using the programming language R and packages such as Seurat. Participants are encouraged to bring their own laptop to follow along.

Lesson 1

  • 4.00 - 4.45pm = Setting up
  • 4.45 - 5.00pm = Break, questions
  • 5.00 - 6.00pm = Introduction to scRNA-Seq

Lesson 2

  • 1.00 - 1.45pm = QC, Normalising, Feature Selection
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Scaling, Dimensionality reduction, Determining dimensionality of dataset

Lesson 3

  • 1.00 - 1.45pm = Clustering, UMAP/t-SNE
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Cluster biomarkers, Assigning cell type identity, Differential expression, Enrichment

Lesson 4

  • 1.00 - 1.45pm = Work on dataset from Stanford/literature/own dataset
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Work on dataset from Stanford/literature/own dataset

Are you a post-doc (or a PI) at Chemistry applying for grants? Do you need to write a Data Management Plan (DMP) as part of your grant application but don't know how? Are you a post-doc (or PI) who is just interested in learning about writing data management plans? If so, this session is for you.

You will increasingly be required to write a DMP as part of your grant applications, but it is also useful to write one whenever you begin a research project, to help you plan how to manage your data effectively from the start.

During this session you will learn everything you need to know about data management plans:

  • What they are
  • Why they are increasingly required as part of grant applications
  • What to include in data management plans
  • Tools to help writing data management plans
  • See example data management plans

Refreshments will be provided (tea, coffee, and biscuits).

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