Selected publications:

Learning Regularization Parameter-Maps for Variational Image Reconstruction Using Deep Neural Networks and Algorithm Unrolling, Andreas Kofler, Fabian Altekrüger, Fatima Antarou Ba, Christoph Kolbitsch, Evangelos Papoutsellis, David Schote, Clemens Sirotenko, Felix Frederik Zimmermann, and Kostas Papafitsoros, SIAM Journal on Imaging Sciences 2023 16:4, 2202-2246, DOI:

Recent developments in X-ray diffraction/scattering computed tomography for materials science, Naomi E. Omori, Antonia D. Bobitan, Antonis Vamvakeros, Andrew M. Beale and Simon D. M. Jacques, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Volume 381, Issue 2259, 11 September 2023, DOI:

A multi-scale study of 3D printed Co-Al2O3catalyst monoliths versus spheres, Clement Jacquot, Antonis Vamvakeros, Andraž Pavlišič, Stephen W.T. Price, Hongyang Dong, Dorota Matras, Lidia Protasova, Blaž Likozar, Simon D.M. Jacques, Andrew M. Beale, Vesna Middelkoop. hemical Engineering Journal Advances, Vol 16, 2023, DOI:

A scalable neural network architecture for self-supervised tomographic image reconstruction. Hongyang Dong, Simon D. M. Jacques, Winfried Kockelmann, Stephen W. T. Price,   Robert Emberson, Dorota Matras, Yaroslav Odarchenko, Vesna Middelkoop, Athanasios Giokaris, Olof Gutowski, Ann-Christin Dippel, Martin von Zimmermann, Andrew M. Beale, Keith T. Butler and Antonis Vamvakeros. Digital Discovery, 2023, Advance Article. DOI:

Architecture of industrial Bi-Mo-Co-Fe-K-O propene oxidation catalysts. Kazuhiko Amakawa, Jonathan M. Mauss, Philipp Müller, Bernd Hinrichsen, Sabine Hirth, Armin Bader, Stephen W. T. Price, Simon D. M. Jacques and Josef Macht. Sci. Adv.9,eadh5331(2023). DOI:10.1126/sciadv.adh5331

Following Cu Microstructure Evolution in CuZnO/Al2O3(−Cs) Catalysts During Activation in H2 using in situ XRD and XRD-CT. Dr. Daniela M. FarmerDr. Simon D. M. JacquesDr. David WallerDr. Sara Boullosa EirasDr. Kanak RoyProf. Georg HeldProf. Gopinathan SankarProf. Andrew M. Beale, Chem. Methods 2023, 3, e202200077.

Emerging chemical heterogeneities in a commercial 18650 NCA Li-ion battery during early cycling revealed by synchrotron X-ray diffraction tomographyD.Matras, T.E.Ashton, H.Dong, M.Mirolo, I.Martens, J.Drnec, J.A.Darr, P.D.Quinn, S.D.M.Jacques, A.M.Beale, A.Vamvakeros, Journal of Power Sources, Volume 539, 2022, 231589,

μ-CT Investigation into the Impact of a Fuel-Borne Catalyst Additive on the Filtration Efficiency and Backpressure of Gasoline Particulate Filters. Stephen W.T. Price, Antonis Vamvakeros, Simon D.M. Jacques, Andrew M. Beale, Kathryn E. Rankin, Nathan Hollingsworth, David Coultas, Amy Challinor. SAE Int. J. Fuels Lubr. 15(2):2022,

Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries. Antonis Vamvakeros, Dorota Matras, Thomas E. Ashton, Alan A. Coelho, Hongyang Dong, Dustin Bauer, Yaroslav Odarchenko, Stephen W. T. Price, Keith T. Butler, Olof Gutowski, Ann-Christin Dippel, Martin von Zimmerman, Jawwad A. Darr, Simon D. M. Jacques, Andrew M. Beale. Small Methods, August 2021, 2100512.

Imaging Heterogeneous Electrocatalyst Stability and Decoupling Degradation Mechanisms in Operating Hydrogen Fuel Cells, Isaac Martens, Antonis Vamvakeros, Nicolas Martinez, Raphaël Chattot, Janne Pusa, Maria Valeria Blanco, Elizabeth A. Fisher, Tristan Asset, Sylvie Escribano, Fabrice Micoud, Tim Starr, Alan Coelho, Veijo Honkimäki, Dan Bizzotto, David P. Wilkinson, Simon D. M. Jacques, Frédéric Maillard, Laetitia Dubau, Sandrine Lyonnard, Arnaud Morin, and Jakub Drnec. ACS Energy Lett. July 2021, 6, 8, 2742–2749,

A deep convolutional neural network for real-time full profile analysis of big powder diffraction data. Hongyang Dong, Keith T. Butler, Dorota Matras, Stephen W. T. Price, Yaroslav Odarchenko, Rahul Khatry, Andrew Thompson, Vesna Middelkoop, Simon D. M. Jacques, Andrew M. Beale & Antonis Vamvakeros. npj Comput Mater 7, 74, May 2021.

Multi-length Scale 5D Diffraction Imaging of Ni-Pd/CeO2-ZrO2/Al2O3 Catalyst during Partial Oxidation of Methane, J. Mater. Chem. A, April 2021, Accepted Manuscript,

DLSR: a solution to the parallax artefact in X‐ray diffraction computed tomography data. A. Vamvakeros, A. A. Coelho, D. Matras, H. Dong, Y. Odarchenko, S. W. T. Price, K. T. Butler, O. Gutowski, A.-C. Dippel, M. Zimmermann, I. Martens, J. Drnec, A. M. Beale, S. D. M. Jacques, Journal of Applied Crystallography, Volume 53| Part 6| December 2020| Pages 1531-1541,

The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode.Thomas M. M. Heenan, Antonis Vamvakeros, Chun Tan, Donal P. Finegan, Sohrab R. Daemi, Simon D. M. Jacques, Andrew M. Beale, Marco Di Michiel, Dan J. L. Brett and Paul R. Shearing, Crystals 2020, 10, 941.,

Exploring cycling induced crystallographic change in NMC with X-ray diffraction computed tomography. Sohrab R. Daemi,  Chun Tan,  Antonis Vamvakeros, Thomas M. M. Heenan,  Donal P. Finegan,   Marco Di Michiel,  Andrew M. Beale,  James Cookson,  Enrico Petrucco,  Julia S. Weaving,  Simon Jacques, Rhodri Jervis, Dan J. L. Brett  and  Paul R. Shearing, Phys. Chem. Chem. Phys., 2020,22, 17814-17823,

Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane. Antonis VamvakerosDorota MatrasSimon D.M. Jacques, Marcodi Michiel, Vesna Middelkoop, Peixi Cong, Stephen W.T. Price, Craig L. Bull, Pierre Senecal, Andrew M. Beale, Catalysis Today, Available online 19 May 2020, Advance Article,

In situ X-ray diffraction computed tomography studies examining the thermal and chemical stabilities of working Ba0.5Sr0.5Co0.8Fe0.2O3−δmembranes during oxidative coupling of methane. Dorota Matras, Antonis Vamvakeros,  Simon D. M. Jacques, Vesna Middelkoop,  Gavin Vaughan,  Miren Agote Aran,    Robert J. Cernik  and  Andrew M. Beale, Phys. Chem. Chem. Phys., June 2020, Advance Article,

In Situ Study of Graphene Oxide Quantum Dot-MoSx Nanohybrids as Hydrogen Evolution Catalysts. Marco Favaro, Mattia Cattelan, Stephen W. T. Price, Andrea E. Russell, Laura Calvillo, Stefano Agnoli and Gaetano Granozzi, Surface Science and Catalysis of Graphene-Related 2D Materials, 16 June 2020, Surfaces, 3(2), 225-236;

Real-time multi-length scale chemical tomography of fixed bed reactors during the oxidative coupling of methane reaction. Antonis VamvakerosDorota MatrasSimon D.M. Jacques, Marco di Michiel, Stephen W.T. Price, Pierre Senecal, Miren Agote Aran, Vesna Middelkoop, Gavin B.G. Stenning, J. Frederick W. Mosselmans, Ilyas Z. Ismagilov & Andrew M. Beale. Journal of Catalysis, Volume 386, June 2020, Pages 39-52. DOI:

Effect of thermal treatment on the stability of Na-Mn-W/SiO2 Catalyst for the Oxidative Coupling of Methane.

Spatial quantification of dynamic inter and intra particle crystallographic heterogeneities within lithium ion electrodes. Finegan, D.P., Vamvakeros, A., Tan, C, Chun Tan, Thomas M. M. Heenan, Sohrab R. Daemi, Natalie Seitzman, Marco Di Michiel, Simon Jacques, Andrew M. Beale, Dan J. L. Brett, Paul R. Shearing & Kandler Smith,  Nat Commun 11, 631 (2020).

Sustainable iron-based oxygen carriers for hydrogen production – Real-time operando investigation. Yoran De Vos, Antonis Vamvakeros, Dorota Matras, Marijke Jacobs, Pascal Van Der Voort, Isabel Van Driessche, Simon Jacques, Vesna Middelkoop, AnVerberckmoes, International Journal of Greenhouse Gas Control, Volume 88, September 2019, Pages 393-402,

3D printed Ni/Al2O3 based catalysts for CO2methanation – a comparative and operando XRD-CT study, Vesna Middelkoop, AntonisVamvakeros, Dieterde Wit, Simon D.M. Jacques, Simge Danaci, Clement Jacquot, Yorande Vos, Dorota Matras, Stephen W.T.Price, Andrew M.Beale, Journal of CO2 Utilization, Volume 33, October 2019, Pages 478-487,

Spatially Resolving Lithiation in Silicon–Graphite Composite Electrodes via in Situ High-Energy X-ray Diffraction Computed Tomography. Donal P. Finegan, Antonis Vamvakeros, Lei Cao, Chun Tan, Thomas M. M. Heenan, Sohrab R. Daemi, Simon D. M. Jacques, Andrew M. Beale, Marco Di Michiel, Kandler Smith, Dan J. L. Brett, Paul R. Shearing and Chunmei Ban, Nano Lett.2019,

Design of next-generation ceramic fuel cells and real-time characterization with synchrotron X-ray diffraction computed tomography. Tao Li, Thomas M. M. Heenan, Mohamad F. Rabuni, Bo Wang, Nicholas M. Farandos, Geoff H. Kelsall, Dorota Matras, Chun Tan, Xuekun Lu, Simon D. M. Jacques, Dan J. L. Brett, Paul R. Shearing, Marco Di Michiel, Andrew M. Beale, Antonis Vamvakeros & Kang Li, Nature Communications, volume 10, Article number: 1497 (2019), DOI:

Operando and Post-Reaction Diffraction Imaging of La-Sr/CaO Catalyst in the Oxidative Coupling of Methane Reaction. D. Matras, S. D. M. Jacques, S. Poulston, N. Grosjean, C. Estruch Bosch, B. Rollins, J. Paul Wright, M. Di Michiel, A. Vamvakeros, R. J. Cernik, and A. M. Beale. J. Phys. Chem. C, January 2, 2019 (web), 123, 1751–1760.

Unravelling the spatial dependency of the complex solid-state chemistry of Pb in a paint micro-sample from Rembrandt’s Homer using XRD-CT. Stephen W T Price, Annelies Van Loon, Katrien Keune, Aaron Parsons, Claire Murray, Andrew M Beale, J Fred W Mosselmans. Chemical Communications, 2019, DOI: 10.1039/C8CC09705D

5D operando tomographic diffraction imaging of a catalyst bed. A. Vamvakeros, S. D. M. Jacques, M. Di Michiel, D. Matras, V. Middelkoop, I. Z. Ismagilov, E. V. Matus, V. V. Kuznetsov, J. Drnec, P. Senecal & A. M. Beale. (2018). Nature Communications, volume 9, Article number: 4751

Real-Time Operando Diffraction Imaging of La-Sr/CaO During the Oxidative Coupling of Methane. Matras, D. Jacques, S. D. M. Godini, H. R. Khadivi, M. Drnec, J. Poulain, A. Cernik, R. J.Beale, A. M. J. Phys. Chem. C, 2018, 122, 2221-2230.

Chemical imaging of Fischer-Tropsch catalysts under operating conditions. Price, S. W. T., Martin, D. J., Parsons, A. D., Sławiński, W. A., Vamvakeros, A., Keylock, S. J., . . . Mosselmans, J. F. W. (2017). Science Advances, 3 (3), e1602838.

Real-Time Scattering-Contrast Imaging of a Supported Cobalt-Based Catalyst Body during Activation and Fischer-Tropsch Synthesis Revealing Spatial Dependence of Particle Size and Phase on Catalytic Properties. Senecal, P., Jacques, S. D. M., Di Michiel, M., Kimber, S. A. J., Vamvakeros, A., Odarchenko, Y., . . . Beale, A. M. (2017). ACS Catalysis, 7 (4), 2284

Reversible restructuring of supported Au nanoparticles during butadiene hydrogenation revealed by operando. GISAXS/GIWAXS. Martin, D. J., Decarolis, D., Odarchenko, Y. I., Herbert, J. J., Arnold, T., Rawle, J., . . . Beale, A. M. (2017) Chem Comm, 53 (37), 5159-5162.

Molybdenum Speciation and its Impact on Catalytic Activity during Methane Dehydroaromatization in Zeolite ZSM-5 as Revealed by Operando X-Ray Methods. Lezcano-González, I., Oord, R., Rovezzi, M., Glatzel, P., Botchway, S. W., Weckhuysen, B. M., & Beale, A. M. (2016) Ange. Chemie Int. Ed., 55 (17), 5348.

Interlaced X-ray diffraction computed tomography A. Vamvakeros, S.D.M. Jacques, M. Di Michiel, P. Senecal, V. Middelkoop, R.J. Cernik and A.M. Beale. Journal of Applied Crystallography (2016) 49, 485.

Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data A. Vamvakeros, S.D M. Jacques, M. Di Michiel, V. Middelkoop, C. K. Egan, R. J. Cernik and A.M. Beale. Journal of Applied Crystallography (2015) 48, 1943

3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography. C.K. Egan, S.D.M. Jacques, M.D. Wilson, M.C. Veale, P. Seller, A.M. Beale, R.A.D. Pattrick, P.J. Withers & R.J. Cernik. Scientific Reports (2015) 5, 15979

Real time chemical imaging of a working catalytic membrane reactor during oxidative coupling of methane. A. Vamvakeros, S.D.M. Jacques, V. Middelkoop, M. Di Michiel, C.K. Egan, I.Z. Ismagilov, G.B.M. Vaughan, F. Gallucci, M. van Sint Annaland, P.R. Shearing, R.J. Cernik and A.M. Beale. Chem. Commun. (2015) 51, 12752

Progress towards Five Dimensional Imaging of Functional Materials Under Process Conditions. A.M. Beale, S.D.M. Jacques, E.K. Gibson and M Di Michiel. Coordination Chemistry Reviews (2014) 277-278, 208

Chemical imaging of sulphur-induced deactivation of Cu/ZnO catalyst bodies. A.M. Beale, E.K. Gibson, M.G. O’Brien, S.D.M. Jacques, R.J. Cernik, M. Di Michiel, P.D. Cobden, Ö. Pirgon-Galin, L. de Water, M. J Watson, and B. M. Weckhuysen. J. Catalysis (2014) 314, 94.

Imaging the Continuous Hydrothermal Flow Synthesis of Nanoparticulate CeO2 at Different Supercritical Water Temperatures Using in Situ Angle-Dispersive Diffraction. V. Middelkoop, C.J. Tighe, S. Kellici, S.D.M. Jacques, J.M. Perkins, R.I. Gruar, P. Barnes and J.A. Darr. J. Supercritical Fluids (2014) 87, 118-128

Pair distribution function computed tomography. S.D.M. Jacques, M. Di Michiel, S.A.J. Kimber, X. Yang, R.J. Cernik, S.J.L. Billinge and A.M. Beale. Nat. Comm. (2013) 4, 2536.

Active phase evolution in single Ni/Al2O3 methanation catalyst bodies studied in real time using combined μ -XRD-CT and μ-absorption-CT. M.G. O’Brien, S.D.M. Jacques, M. Di Michiel, P. Barnes, B.M. Weckhuysen and A.M. Beale, Chem. Sci., 3 (2012) 509-523.

Chemical Probing within Catalyst Bodies by Diagonal Offset Raman Spectroscopy. M.W. Zandbergen, S.D.M. Jacques, B.M. Weckhuysen and A.M. Beale, Angewandte Chemie-Int. Ed., 51 (2012) 957-960.

Dynamic X-ray diffraction computed tomography reveals real-time insight into catalyst active phase evolution. S.D.M. Jacques, M. Di Michiel, A. M. Beale, T. Sochi, M. G. O’Brien, L. Espinosa-Alonso, B. M. Weckhuysen and P. Barnes, Angewandte Chemie-Int. Ed., 50, (2011), 10148-10152