Thomas Swinburne
méthodes d'échantillonnage et développement théorique pour la modélisation de matériaux multi-échelles
parallel, autonomous sampling and coarse graining methods
dislocation and diffusion processes in metals
data-driven linear models for materials (force fields, surrogate models)
Analysis of ill-conditioned Markov chains
10/2018 - : CNRS CRCN, CINaM, Marseille, France
03/2017 - 07/2018 : Postdoc, T-1, Los Alamos National Laboratory, USA
04/2015 - 02/2017 : EUROFusion Fellow, Culham Center for Fusion Energy, Oxford, UK
10/2011 - 03/2015 : PhD, Physics Department, Imperial College London, UK
2026
Efficient and accurate spatial mixing of machine learned interatomic potentials for materials science
Fraser Birks, Matthew Nutter, Thomas Swinburne, James Kermode
npj Computational Materials 12:110 (2026)10.1038/s41524-026-01982-6 
2025
Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations
Arnaud Allera, Thomas D Swinburne, Alexandra M Goryaeva, Baptiste Bienvenu, Fabienne Ribeiro, Michel Perez, Mihai-Cosmin Marinica, David Rodney
Nature Communications 16:8367 (2025)10.1038/s41467-025-62390-w 
Anomalous self-diffusion in tungsten and molybdenum: Exonerating the di-vacancy contribution and the key role of interatomic interaction
Clovis Lapointe, Anruo Zhong, Thomas Swinburne, Fabien Bruneval, Manuel Athènes, Mihai-Cosmin Marinica
Physical Review Materials 9:093801 (2025)10.1103/c612-psgt
Exploring parameter dependence of atomic minima with implicit differentiation
Ivan Maliyov, Petr Grigorev, T D Swinburne
npj Computational Materials 11:22 (2025)10.1038/s41524-024-01506-0
Uncertainty quantification for misspecified machine learned interatomic potentials
Danny Perez, Aparna Subramanyam, Ivan Maliyov, Thomas Swinburne
npj Computational Materials 11:263 (2025)10.1038/s41524-025-01758-4
Parameter uncertainties for imperfect surrogate models in the low-noise regime
Thomas Swinburne, Danny Perez
Machine Learning : Science and Technology 6:015008 (2025)10.1088/2632-2153/ad9fce
2024
Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model
Raynol Dsouza, Marvin Poul, Liam Huber, Thomas Swinburne, Jörg Neugebauer
Physical Review B 109:064108 (2024)10.1103/PhysRevB.109.064108
Temperature dependence of generalized stacking fault free energy profiles and dissociation mechanisms of slip systems in Mg
Reza Namakian, Dorel Moldovan, T D Swinburne
Computational Materials Science 231:112569 (2024)10.1016/j.commatsci.2023.112569
2023
Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods
Petr Grigorev, Alexandra Goryaeva, Mihai-Cosmin Marinica, James Kermode, Thomas Swinburne
Acta Materialia 247:118734 (2023)10.1016/j.actamat.2023.118734
Temperature dependent stacking fault free energy profiles and partial dislocation separation in FCC Cu
Reza Namakian, Dorel Moldovan, Thomas Swinburne
Computational Materials Science 218:111971 (2023)10.1016/j.commatsci.2022.111971
Coarse-Graining and Forecasting Atomic Material Simulations with Descriptors
Thomas Swinburne
Physical Review Letters 131:236101 (2023)10.1103/PhysRevLett.131.236101
2022
Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science
Jacopo Baima, Alexandra Goryaeva, Thomas Swinburne, Jean-Bernard Maillet, Maylise Nastar, Mihai-Cosmin Marinica
Physical Chemistry Chemical Physics https://doi.org/10.1039/D2CP01917E (2022)10.1039/D2CP01917E
Reaction–drift–diffusion models from master equations: application to material defects
Thomas Swinburne, Danny Perez
Modelling and Simulation in Materials Science and Engineering 30:034004 (2022)10.1088/1361-651X/ac54c5
2021
Piezomagnetic switching and complex phase equilibria in uranium dioxide
Daniel Antonio, Joel Weiss, Katherine Shanks, Jacob Ruff, Marcelo Jaime, Andrés Saúl, T D Swinburne, Myron Salamon, Keshav Shrestha, Barbara Lavina, Daniel Koury, Sol Gruner, David Andersson, Christopher Stanek, Tomasz Durakiewicz, James Smith, Zahirul Islam, Krzysztof Gofryk
Communications Materials 2 (2021)10.1038/s43246-021-00121-6
Interstitialcy-based reordering kinetics of Ni 3 Al precipitates in irradiated Ni-based super alloys
Keyvan Ferasat, Peyman Saidi, T D Swinburne, Mark Daymond, Zhongwen Yao, Laurent Karim Béland
Materialia 19:101180 (2021)10.1016/j.mtla.2021.101180
A semi-grand canonical kinetic Monte Carlo study of single-walled carbon nanotube growth
Georg Daniel Förster, Thomas D Swinburne, Hua Jiang, Esko Kauppinen, Christophe Bichara
AIP Advances 11 (2021)10.1063/5.0030943
Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W
Alexandra Goryaeva, Julien Dérès, Clovis Lapointe, Petr Grigorev, T D Swinburne, James Kermode, Lisa Ventelon, Jacopo Baima, Mihai-Cosmin Marinica
Physical Review Materials 5:103803 (2021)10.1103/PhysRevMaterials.5.103803
Anharmonic effect on the thermally activated migration of {101̄2} twin interfaces in magnesium
Yuji Sato, T D Swinburne, Shigenobu Ogata, David Rodney
Materials Research Letters 9:231-238 (2021)10.1080/21663831.2021.1875079
Accelerated molecular dynamics simulations of dislocation climb in nickel
T D Swinburne, Lauren Fey, Anne Marie Z. Tan, Thomas Swinburne, Danny Perez, Dallas Trinkle
Physical Review Materials 5 (2021)10.1103/PhysRevMaterials.5.083603
Uncertainty and anharmonicity in thermally activated dynamics
T D Swinburne
Computational Materials Science 193:110256 (2021)10.1016/j.commatsci.2020.110256
2020
Observation of quantum de-trapping and transport of heavy defects in tungsten
Kazuto Arakawa, Mihai-Cosmin Marinica, Steven Fitzgerald, Laurent Proville, Duc Nguyen-Manh, Sergei Dudarev, Pui-Wai Ma, T D Swinburne, Alexandra Goryaeva, Tetsuya Yamada, Takafumi Amino, Shigeo Arai, Yuta Yamamoto, Kimitaka Higuchi, Nobuo Tanaka, Hidehiro Yasuda, Tetsuya Yasuda, Hirotaro Mori
Nature Materials 19:508 (2020)10.1038/s41563-019-0584-0
Statistical mechanics of kinks on a gliding screw dislocation
Max Boleininger, Martin Gallauer, Sergei L Dudarev, T D Swinburne, Daniel R Mason, Danny Perez
Physical Review Research 2 (2020)10.1103/physrevresearch.2.043254
Hybrid quantum/classical study of hydrogen-decorated screw dislocations in tungsten: Ultrafast pipe diffusion, core reconstruction, and effects on glide mechanism
Petr Grigorev, T D Swinburne, James R Kermode
Physical Review Materials 4 (2020)10.1103/PhysRevMaterials.4.023601
Optimal dimensionality reduction of Markov chains using graph transformation
Deepti Kannan, Daniel Sharpe, T D Swinburne, David Wales
The Journal of Chemical Physics 153:244108 (2020)10.1063/5.0025174
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond
T D Swinburne, Jan Janssen, Mira Todorova, Gideon Simpson, Petr Plechac, Mitchell Luskin, Jörg Neugebauer
Physical Review B: Condensed Matter and Materials Physics (1998-2015) (2020)10.1103/PhysRevB.102.100101
Automated calculation and convergence of defect transport tensors
T D Swinburne, Danny Perez
npj Computational Materials (2020)10.1038/s41524-020-00463-8
Defining, calculating and converging observables of kinetic transition networks
T D Swinburne, David J Wales
Journal of Chemical Theory and Computation (2020)10.1021/acs.jctc.9b01211
Rare events and first passage time statistics from the energy landscape
T D Swinburne, Thomas Swinburne, Deepti Kannan, Daniel J Sharpe, David J Wales
The Journal of Chemical Physics 153:134115 (2020)10.1063/5.0016244
Fragility and correlated dynamics in supercooled liquids
Thomas Swinburne, Deepti Kannan, Daniel Sharpe, David Wales, Atreyee Banerjee
The Journal of Chemical Physics 153:124501 (2020)10.1063/5.0015091