Å·ÃÀAV

Computational tools are revolutionising physical chemistry research - find out how they can transform yours too! Regardless of whether you are just starting your PhD or writing your thesis, come along to a day of talks and workshops and learn how chemistry software can help you achieve your research goals.
 
You will have the opportunity to try out a range of software packages with expert tuition.

Workflows (KNIME)

Do you spend lots of time doing the same things over and over again? For example, you may collect data, transform the data file, run a program, add the results to another file, run a second program on the set of results, and then do this all over again for the next experiment. This represents a workflow. 

Linking a series of steps can be done manually by using a set of Linux pipe commands, or it can be wrapped up as a workflow where comments are used to explain the process. It is also easy to exchange or update a workflow.  Furthermore, this can be achieved with a nice graphical interface, making it easy for other researchers to appreciate the contents of the workflow. Applications in physical chemistry (kinetics, simulations and real time data) will be illustrated using KNIME and related software. 

Computer algebra (Mathematica, Maple, SymPy)

Computers can do more than numerical calculations.  Symbolic computer algebra has become an essential tool on many areas when complex manipulations of equations is required, but it is also an ideal tool for exploring and checking derivations.  With modern tools such as Mathematica, Maple and SymPy it also links closely to subsequent numerical evaluation and the production of suitable code.

Paper writing (LaTeX and Git)

This session will provide a starter guide for everything you need to get Git and LaTeX set up on your computers, and introductions to version control and paper writing in LaTeX. 

• Using Git via the command line and the web interface. 
• Introduction to using LaTeX on your own machine and online via the collaborative interface Overleaf. 
• Aspects of paper writing, including organising sections, creating tables and figures, captions and footnotes, and referencing. 

This will all be covered through a hands-on tutorial that will run through an example of how to set up a new paper, using existing templates, and version controlling both the paper and its associated data. 

Career Consultations  

In addition, one of the Å·ÃÀAV’s Career and Professional Developments Specialists will be available for one-on-one CV consultations. 15-minute sessions can be booked at registration, and are available to Å·ÃÀAV members only.

Grants for Carers

Grants for carers have been introduced following the Å·ÃÀAV Breaking the Barriers report where 78% of chemists working in UK academia felt that managing parenting and/or caring responsibilities has an impact on women’s retention and progression. This fund is not limited to women scientists and welcomes applications from anyone with caring responsibilities, for more information please refer to the ‘bursaries’ section on this page.

Grants for Carers

You can apply for up to a maximum of £1000/year to assist with additional financial costs that you incur for care usually provided by you whilst you attend a chemistry related meeting, conference or workshop or a professional development event.
Caring responsibilities are wide and varied, and so each application will be individually assessed, examples of applications that we will consider include:

• paying for extra home help or nursing care for a dependent whilst you will not be present
• additional medical/respite care for a dependent whilst you will not be present
• travel expenses for a relative to travel with you to care for dependents whilst you attend a meeting or event
• paying for extended hours with a care worker/childminder/play scheme to cover time when you will arrive home later than normal.

You are eligible to apply if: 

• you are a chemist
• you will incur additional caring expenses whilst attending a chemistry-related meeting, conference, event or workshop or a professional development event
• you will use these funds to cover the cost of care that you usually provide 
• you are based in the UK or Ireland or if not, you will normally have held three years Å·ÃÀAV membership (past or current).

These grants for carers have been introduced following the Å·ÃÀAV Breaking the Barriers report where 78% of chemists working in UK academia felt that managing parenting and/or caring responsibilities has an impact on women’s retention and progression. This fund is not limited to women scientists and welcomes applications from anyone with caring responsibilities.

These grants have been supported by The Å·ÃÀAV’s Chemists’ Community Fund. 

There is no accommodation for this event.