If you're seeing this page there is a problem with the layout.master file of the site or page skin.

ERC Starting Grant for Volker Deringer

 

Professor Volker Deringer has been awarded a major grant from the European Research Council (ERC). The project aims to accelerate the design of disordered, so-called “amorphous” materials through advanced computer simulations.

Modern technologies require materials with suitable properties – for example, the ability to store and transport lithium ions in rechargeable batteries. Many materials have ordered, crystalline structures, and today these are widely studied with accurate computer simulations that are based on the laws of quantum mechanics. Amorphous solids, on the other hand, lack long-range order, and are often highly challenging to characterise – both for experiments and for computational chemistry. 

The new five-year research project will use machine-learning (ML) and density-functional-theory (DFT) based approaches for accurate, large-scale simulations of complex amorphous materials. The aim is to understand their atomistic structures – how they form, how they are connected to practically relevant properties, and how they can be controlled.

Volker joined the Department in 2019 as an Associate Professor and has since been building up his research group in the Inorganic Chemistry Laboratory. His recent work on the ML-driven modelling and understanding of disordered elemental silicon, including UK and international collaborators, was featured on the cover of Nature. The group’s research on the intricate structure of amorphous phosphorus was very recently included in the “Rising Stars” collection of Advanced Materials.

The new ERC project will now build on Volker's track record and go substantially further, including more complex chemical compositions that are relevant for practical applications (for example, in glassy ion conductors for batteries). The project team will develop simulation methodology to predict atomic structures and spectroscopic fingerprints, and then use the new tools to describe how complex amorphous materials form on the atomic scale. The long-term goal is to make predictions that can be used by experimental colleagues, at Oxford and around the world.

The project has attracted approximately £1.2 million (1.5 million Euros) in funding and was approved in a highly competitive process. Out of over 4,000 submitted proposals, 397 were funded across all disciplines and participating countries.

 

 

Outstanding Junior Faculty Award for Professor Fernanda Duarte

Congratulations to Fernanda

Professor Fernanda Duarte has been awarded the OpenEye Outstanding Junior Faculty Award in Computational Chemistry from the COMP division of the American Chemical Society.

The ACS COMP OpenEye Outstanding Junior Faculty Award program provides $1,000 to up to four outstanding tenure-track junior faculty members to present their work in COMP division at the Fall 2021 Atlanta ACS National Meeting, where award certificates and prizes will be presented. 

The ACS Computers in Chemistry Division brings together scientists who are interested in artificial intelligence, experimental design, and molecular modelling in the fields of agrochemicals, materials science, medicinal and organic chemistry, pharmaceuticals, polymers and theoretical chemistry.

 

Congratulations

Congratulations to Cohort 6 who have passed their MSc

Matt Bailey (Wilson Group) gives talk at Bloxham School

 

Matt Bailey (Wilson Group) gave a very well received hour-long talk to forty 15–18 year olds and their teachers at Bloxham School on September 17th, covering his academic career to date and sharing the details of his Part II project, his work during his CDT rotations and his current research focus.  

Here is feedback from Dr Simon Floate, Head of Chemistry and Wilson Tutor at Bloxham School:

I am delighted to say that Matt’s talk was a real success.

We had 25 A Level chemistry and 17 A Level biologists in attendance as well as numerous members of staff.

Our students got a lot out of Matt’s presentation, particularly his decision-making process for applying to Oxford University as well as the potential pathways for degree courses (undergraduate and postgraduate) and research opportunities that are available. This is a real help to some of our students because although they are aspirational they sometimes lack the awareness and confidence to find out what is open to them.

Many of our A Level chemists were delighted to be able to make synoptic links between Matt’s work and their current syllabus. This consequently gave them the kudos to be able to discuss the science with my colleagues and I in lessons and demonstrate their deeper understanding with their biology peers.

I would be extremely pleased to continue to develop the relationship we have now cultivated with Oxford University and hope to make this at least an annual event.

I will of course send you some photos of Matt in action and provide you with a link to a summary I will be writing for our marketing department. We have a new team starting next week, so please watch this space.

Once again, many thanks for helping get this event off the ground. Matt was brilliant. I hope his time at the Warriner was equally well-received and his DPhil is a great success.

Congratulations!

Congratulations to all members of the fifth TMCS cohort who completed successfully the MSc in Theoretical and Computational Chemistry at the end of their year-1 training, and to the ten students who achieved distinctions in the MSc: Matt Bailey, Isabel Creed, Adam Dean, Theo Fletcher, Lennart Gundelach, Tristan Johnston Wood, Dilhan Manawadu, Michael Selby, Harry Stroud and Karl Michael Ziems; a brilliant result!

Using Virtual Reality to explain Chemistry

Rhoslyn Roebuck Williams and Izzy Creed from the Theory and Modelling in Chemical Systems (TMCS) Centre for Doctoral Training went to The Royal Society alongside students from Bristol and Southampton to use Virtual Reality (VR) to explain antibiotic resistance to members of the general public on Tuesday 2nd July.

Other students from TMCS (Harry Stroud, Izzy Creed, Jillisa Thompson and Tristan Johnston-Wood) have also used the new VR kit to explain the importance of Theoretical Chemistry to prospective undergraduates at this year's open day.

TMCS is formed as a consortium of leading research groups

TMCS is formed as a consortium of leading research groups

TMCS is formed as a consortium of leading research groups from the Universities of Oxford, Bristol and Southampton, so our students will benefit from expertise right across the subject, and from our strong links with prospective employers across a range of sectors.

In addition to offering integrated doctoral training at the Universities of Oxford, Bristol and Southampton, up to four places on the year-one programme will be available to outstanding students with PhD positions at other universities, at no cost to them or their host institution, every year​.

TMCS is committed to promoting equal opportunities in science, and we particularly welcome applications from women.

Congratulations to Lee

Congratulations to Lee Steinberg who has been named winner of I’m a Scientist Get Me Out Of Here competition’s Drug Discovery Zone after impressing in a series of fast-paced web chats with aspiring scientists: http://ow.ly/YQmy50uy4PC

Young Modelers Forum

Congratulations to Jonathan Shearer and Tim Burd on being two of the prize winners for the #yfm2018 Conference in November 2018

Dr Daniel Tracey

Well done Dan on passing your viva!

Page 1 of 6 1 2 3 4 5 6 > >>

Site Map | Printable View | © 2008 - 2024 TMCS

Powered by mojoPortal | | |