Thomas Swinburne


Théorie et Simulation Numérique



+33(0)6 62 90 28 87









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


personal site


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



Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals

Alexandra Goryaeva, Christophe Domain, Alain Chartier, Alexandre Dézaphie, Thomas Swinburne, Kan Ma, Marie Loyer-Prost, Jérôme Creuze, Mihai-Cosmin Marinica

Nature Communications 14:3003 (2023)10.1038/s41467-023-38729-6

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


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 (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


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


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

Ultraviolet catastrophe of a fluctuating curved dislocation line

Max Boleininger, T D Swinburne, Laurent Dupuy, Sergei Dudarev

Physical Review Research 2 (2020)10.1103/PhysRevResearch.2.032033

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

Femtosecond quantification of void evolution during rapid material failure

James Coakley, Andrew Higginbotham, David Mcgonegle, Jan Ilavsky, T D Swinburne, Justin S Wark, Khandaker M Rahman, Vassili A Vorontsov, David Dye, Thomas J Lane, Sébastien Boutet, Jason Koglin, Joseph Robinson, Despina Milathianaki

Science Advances (2020)

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

Machine learning surrogate models for prediction of point defect vibrational entropy

Clovis Lapointe, T D Swinburne, Louis Thiry, Stéphane Mallat, Laurent Proville, Charlotte Becquart, Mihai-Cosmin Marinica

Physical Review Materials 4 (2020)10.1103/PhysRevMaterials.4.063802

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



Low temperature diffusivity of self-interstitial defects in tungsten

T D Swinburne, P-W Ma, S L Dudarev

New Journal of Physics 19:073024 (2017)