James Kermode
@jrkermode.co.uk
Professor of Materials Modelling in School of Engineering at University of Warwick, Director of Warwick Centre for Predictive Modelling and EPSRC HetSys CDT. Develop multiscale materials modelling methods and software. warwick.ac.uk/jrkermode
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...
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
doi.org
April 23, 2025 at 7:19 AM
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.
April 23, 2025 at 7:17 AM
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...
conformal-prediction
a marimo app
kermodegroup.github.io
April 23, 2025 at 7:15 AM
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...
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!
April 3, 2025 at 1:24 PM
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
March 31, 2025 at 9:51 AM
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