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
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 
2023
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
Coarse-Graining and Forecasting Atomic Material Simulations with Descriptors
T D 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
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)
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
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
2018
Atomistic-to-continuum description of edge dislocation core: Unification of the Peierls-Nabarro model with linear elasticity
M Boleininger, T D Swinburne, S L Dudarev
Physical Review Materials 2 (2018)10.1103/PhysRevMaterials.2.083803
Kink-limited Orowan strengthening explains the brittle to ductile transition of irradiated and unirradiated bcc metals
T D Swinburne, S L Dudarev
Physical Review Materials 2 (2018)10.1103/physrevmaterials.2.073608
Self-optimized construction of transition rate matrices from accelerated atomistic simulations with Bayesian uncertainty quantification
T D Swinburne, D Perez
Physical Review Materials 2:053802 (2018)10.1103/physrevmaterials.2.053802
Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems
T D Swinburne, M-C Marinica
Physical Review Letters 120 (2018)10.1103/physrevlett.120.135503