index.md

Thomas D Swinburne, CNRS

CV  /  Google Scholar  /  GitHub  /  thomas.swinburne-at-cnrs.fr

POPS-Regression is now public! GitHub

New approaches in computational metallurgy
Metallic alloys are uniquely strong, ductile and recyclable, but predicting how components fail remains a grand engineering challenge, limiting performance and increasing costs/emissions.

Our research pushes the boundaries of theory and simulation for materials, connecting atomic dynamics to engineering properties. Drawing broadly from mechanics, physics, statistics and machine learning, a particular focus is quantifing uncertainty in multi-scale, data-driven models.
Keywords: atomic simulation, dislocations, UQ, Markov models, forecasting

Recent papers/preprints from the group
Implicit differentiation in MD (Ivan Maliyov) NPJ Comp. Mat. 2025 / code
POPS misspecification uncertainty ML:S&T 2025 / code
Coarse-graining & forecasting MD with descriptors Phys. Rev. Lett. 2023
Embedded ab initio with QM/ML (Petr Grigorev) Acta Mat. 2023 / code

Recent papers/preprints with collaborators
Entropy of dislocation glide (Rodney Group / PAFI) ArXiv 2024
Free energies from mean-field bonds (Raynol Dsouza) Phys. Rev. B 2024
MACE foundation model (Csyani Group, Section A.13) ArXiv 2023
A15 defects in FCC (Marinica Group / TAMMBER) Nat. Comm. 2023
Ill-conditioned Markov chains (Wales Group / PyGT) Proc. Roy. Soc. 2023

Recent & Upcoming Invited Conferences/Seminars
CoMPASs workshop, ICMS, Edinburgh, 11/25
Speaker & Senior Scholar, IPAM, UCLA, 9/25-12/25
Fritz Haber Institute of the Max Planck Society, Berlin, 04/25
APS March Meeting, Anaheim, 03/25 (unavailable)
Condensed Matter Physics Seminar, École Polytechnique, 03/25
CECAM workshop, Lausanne, 03/25
Keynote, MecaNano symposium, online, 02/25
AppliedML 2025, EPFL, 02/25

Evening Symposium, IPAM Reunion, Lake Arrowhead, 12/24
MRS Fall Meeting, Boston, 12/24
General Physics Seminar, École Polytechnique, 11/24
International Nuclear Engineering Consortium, MIT/Oxford, 11/24
Engineering Seminar, U Oxford, 10/24
Chemistry Seminar, U Cambridge, 10/24
UQ Meeting, Max Planck Magdeburg, 8/24
Hattrick-Simpers Group Seminar, U Toronto, 7/24
CIMTEC Conference, Tuscany, 6/24
Senior Scholar, IMSI, U Chicago, 3/24-6/24 (video)