Home - Theory and Modelling in Chemical Sciences

Doye group: a DNA tetrahedron assembled from four 3-arm motifs as modelled by oxDNA.

Doye group: a DNA tetrahedron assembled from four 3-arm motifs as modelled by oxDNA.

Welcome back to all our students

We are glad to be back in the Department! This last year has been very different for all of us, we hope you are staying safe and healthy during this challenging time!

Keep your distance
Wash your hands
Wear a face covering
Got symptoms? Get a test
Contacted by track and trace? Stay at home

Here is a link to our Oxford University Welfare & Wellbeing information https://www.ox.ac.uk/coronavirus/students/welfare

Welcome to our new cohort of MSc students who started in October

MSc 2021 students, L-R: Megan, Zijia, Johanna, Ewan, Aditi, Atharva, Maryia, Yuanyuan, Shubham, Savan, Ziyu, Yongyi and Weixin

Our 2019 TMCS Cohort

Our 2018 TMCS Cohort

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.

Using Virtual Reality to explain Chemistry

Lee Steinberg

Congratulations to Lee Steinberg who has been named winner of the 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.

Young Modelers Forum Conference

November 2018

Congratulations to two of our students Jonathan Shearer and Tim Burd for being two of the prize winners for #yfm2018 Conference.

Well done Jonathan and Tim

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 to the sixth cohort, who have passed their MSc

Tom Fay

Congratulations to Tom Fay who won the top poster prize at the CMS conference back in April

Dr Tim Wiles

Tim Wiles has successfully passed his DPhil - well done Tim

Dr Jonathan Mannouch

April 16, 2019

Jonathan Mannouch has successfully passed his DPhil, well done

Presenting Dr Tim Naginey!

November 15, 2018

Presenting Dr Tim Naginey!

We are delighted to let you know that Tim Naginey, from cohort 1, has successfully completed his viva, well done Tim!

Oxford Science and Ideas Festival

October 22, 2018

Four of our students, Darya Shchepanovska, Tom Fay, Callum Bungey and Rocco Meli demonstrated the NanoSim Box VR at the IF festival, held at the Oxford Town Hall on 13th October. The VR was used to explain chemical concepts and how technology can be used to enhance our understanding of chemistry.

TMCS Prize

October 03, 2018

Congratulations to Alex Duthie, who has been awarded this year's TMCS Prize for his outstanding performances in the assessed year-1 TMCS training programme, well done!

Hannah (Cohort 1) Post Doc Position

October 03, 2018

Hannah Bruce MacDonald from Cohort 1 of the TMCS CDT, has a post doc position in John Chodera's group at Memorial Sloan Kettering Cancer Center (MSKCC), in New York.