James Kermode

Illustration of transition from low temperature brittle behaviour to high temperature ductile fracture in tungsten

Fully-funded PhD at @hetsys.bsky.social: ML for Fracture in Fusion Materials 🔬
Develop #MLIP for brittle-ductile transition in W for fusion, with me, @pbro.bsky.social, Albert Bartok-Partay and @erikbitzek.bsky.social
Deadline: 28th Jan
warwick.ac.uk/fac/sci/hetsys/themes/projects2026/2026-008/

Students and staff from the HetSys CDT outside the Psi-k 2025 conference in Lausanne

Great to be at #Psik2025 in Lausanne along with a strong contingent from @hetsys.bsky.social. I am giving talk C1.09 at 17:45 today in Room 1 on fine tuning foundation MLIPs for applications in chemomechanics of structural materials- do come along if interested!

I enjoyed speaking at the QSP-UK Knowledge Exchange Workshop at Warwick this afternoon. I talked about uncertainty quantification, predictive modelling and scientific machine learning and their potential future application to #pharmacokinetics. #Marimo notebook at github.com/jameskermode...

Uncertainty quantification in atomistic simulations of silicon using interatomic potentials Atomistic simulations often rely on interatomic potentials to access greater time and length scales than those accessible to first-principles methods, such as d

For more on conformal prediction and its applications to quantifying uncertainty in quantities of interest computed with machine learning interatomic potentials see this paper by recently completed PhD student Iain Best in my group doi.org/10.1063/5.02...

I am impressed with #marimo which lifts many of the limitations of #Jupyter notebooks: hidden state between cells, difficulty with version control, hard to make interactive UIs. The export to static WASM-backed HTML webpages is a very nice touch for sharing demos without losing interactivity.

As part of the preparation of my lecture I tried out #marimo notebooks for the first time to make a demo of conformal prediction to address "collapsing posterior" problem of Bayesian inference in the high-data, low-noise limit. Published as an app here: kermodegroup.github.io/conformal-pr...

TOTEMIC Training School 2025: "Tools for Energy Materials Modelling ... Organised by the Cost Action EU-MACE project, the TOTEMIC “Tools for Energy Materials Modelling Acceleration” Training School 2025 is set to take place from 20 to 26 April in Corsica, France. TOTEMIC....

Visiting IESC in beautiful Cargèse, Corsica forTOTEMIC Training School. Great to give a lecture on multiscale materials modelling in age of machine learning to engaged audience of early career researchers, to meet new people, and catch up with friends and colleagues www.eera-set.eu/events/4969:...

That’s a wrap on our CECAM multiscale workshop. As organisers we were very happy with event, which has continued to nurture this vibrant and interdisciplinary community, nucleated in part by Sandro De Vita. Personally I was very proud of all the HetSys students for their excellent presentations!

In the opening sessiont this afternoon, which is dedicated to our friend and mentor Sandro De Vita, we will be looking back on the progress made in the field since he sadly passed away in 2018

We’re all setup and ready to go for this exciting CECAM workshop on getting information out of the atomistic scale (and the ideally doing something useful with it!), with a fantastic line up of speakers and participants
www.cecam.org/workshop-det...

We're now open for applications for 2025 PhD projects in the HetSys CDT at Warwick. Come and join us here!

HetSys is shaping the next generation of experts to push the boundaries of computational modelling in a variety of complex, heterogeneous systems. We have a range of fully funded PhDs starting in October 2025. Explore the possibilities and get in touch #EPSRC #computationalmodelling
bit.ly/3OA76tP

GitHub - jameskermode/AdventOfCode2024 Contribute to jameskermode/AdventOfCode2024 development by creating an account on GitHub.

I’m having a go at Advent of Code in Rust this year to try to learn the language. Finished the day 1 puzzle at least 😀. I’ll post my solutions at github.com/jameskermode...

Collection of prosseco corks signed by PhD students from my group after their vivas

Thrilled that two PhD students from my group and #HetSysCDT passed their vivas with minor corrections: Lakshmi Shenoy today, and Iain Best two weeks ago. Thanks to @erikbitzek.bsky.social, Tom Hudson, @pbro.bsky.social and Michael Herbst for acting as examiners and congrats to Lakshmi and Iain!

Word cloud from scholar goggle for James Kermode: atomistic simulations, multiscale materials, hybrid fracture all listed.

Like many others, I’ve made one of these world clouds from scholargoggler.com. Very happy with the result, represents the key themes of my research very nicely.

Great to be here on BlueSky: feels like a breath of fresh air after the other place. I'm an academic interested in electronic/atomistic materials modelling. I've found many friends from computational materials science, #ai4science and #compchem active here, and looking forward to making many more!