12:30 Registration

Session 1 - Chair: Marietjie Ungerer, University of Leeds

13:00 Introduction and Welcome

13:15 – 14:00

Dr. Mishbah Sarwar - Johnson Matthey

Multi-scale modelling – an industrial perspective

14:00 – 14:15

Igor Kowalec, Cardiff University

Au and AuCu nanoclusters as catalysts for light-driven CO oxidation

14:15 – 14:30

Yidan Wang, University College London

A novel mechanochemical route to alkali–transition-metal chalcogenides

14:30 – 14:45

Oliver Morris, Cardiff University

Computational modelling of acid zeolite-catalysed dimethylnaphthalene synthesis

14:45 – 15:00

Isaac Mackley, University College London

Correlation of polarons and ion interstitials in crystalline and amorphous HfO3

15:00 – 15:30 Refreshment break

Session 2 - Chair: Oliver Thomas, Oxford University

15:30– 16:15

Dr. Elizabeth Driscoll - University of Birmingham

The building blocks of battery career

16:15 – 16:30

Hira Fazal, University of Birmingham

Synthesis of disordered lithium-rich oxyfluoride cathodes with ternary additives electrolyte system for Li-ion battery

16:30 – 16:45

Rebecca E. Witte, University of Oxford

Enhancing oxygen redox stability in layered oxide cathodes through superstructure ordering

16:45 – 17:00

Urvi Joshi, University of Birmingham

Analysis of KTiOPO4 as an anode in potassium-ion batteries

17:00 – 17:15

Philippa Cox, University of Birmingham

Evaluating Cu2GeSe3 as a high-performance thin film photovoltaic material

17:15 – 18:00

Dr. Claire Tamargo - Nature Communications

From lab bench to editorial desk – career perspectives of a publishing editor

18:00 End of the Day

18:00 Buffet and Networking

Session 3 - Chair: Kerry McMahon, University of St Andrews

09:00 – 09:45

Dr Joshua Elliot - Diamond Light Source

How I became a theoretician at a large experimental facility

09:45 – 10:00

Emily Hayward, University of Birmingham

In situ SAXS/WAXS studies of iron catalysed graphitization of biomass

10:00 – 10:15

Eunice Estrella De Guzman, National Cheng Kung University

In-situ zeolite-forming geopolymer-encapsulated graphene-cobalt phthalocyanine catalysts for efficient capture and electroreduction of low-concentrated CO2 to CO

10:15 – 10:30

Peimiao Zou, University of Warwick

Feeding effect in Sn- and Y- co-doped SrCeO₃: a pathway to enhanced mixed OH⁻/H⁺ conduction at low temperature

10:30 – 11:00 Refreshment break

Session 4 - Chair: Tom Hill, Cardiff University

11:00 – 11:15

Alexander Browne, University of St Andrews

Structurally and electronically driven uniaxial negative thermal expansion in hexagonal perovskite BaIrO3

11:15 – 11:30

Esther Curtis, Durham University

Experimental demonstration of anisotropic oxide ion conductivity using floating-zone crystal growth and oriented property measurements

11:30 – 11:45

Theodosios Famprikis, University of Oxford

Ionic conduction in disordered solids

11:45 Closing Remarks

12:00 Meeting concludes

12:00 Registration and Lunch

Session 1 - Chair: Nora de Leeuw, University of Leeds

13:00 Introduction and Welcome

13:10 – 13:50

Professor Cornie van Sittert, North-West University, South Africa (Keynote speaker)

The quest in catalyst development for green hydrogen production

13:50 – 14:10

Dr Alex Ganin, The University of Glasgow

Conductivity-driven core–shell evolution governing lithiation dynamics in layered CrSe2

14:10 – 14:30

Thomas Hill, Cardiff University

Exploring structure-reactivity relationship on Au/CeO2: A combined DFT/ML approach

14:30 – 14:50

Dr Jing Ming, STFC- ISIS Neutron and Muon Source

Probing dopant size effects on defect clustering and vacancy ordering in lanthanide-doped ceria

14:50 - 15:20 Refreshment break, posters and exhibition

Session 2 - Chair: Marco Molinari, University of Huddersfield

15:20 – 16:00

Professor John Irvine, University of St. Andrews (Keynote speaker)

Powering the future via solid state chemistry

16:00 – 16:20

Samuel Goodwin, University of Liverpool

Enhanced ionic conductivities in oxide argyrodites via aliovalent doping strategies

16:20 – 16:40

Dr Ashok Menon, University of Warwick

Unwrapping the perfect operando scattering experiment for batteries

16:40 – 17:00

Oskar Soulas, University of Birmingham

Anion disorder and ion transport in Li–S–N antifluorite solid electrolytes

17:00 Solid State Chemistry Group AGM

17:30 Poster session, drinks reception and exhibition

19:00 Meeting dinner, Leeds Marriott Hotel (delegates to make their own way to/from the hotel)

Session 3 - Chair: David Cooke, University of Huddersfield

09:00 – 09:40

Dr Colin Freeman, University of Sheffield (Keynote speaker)

The role of the material surface in molecular behaviour

09:40 – 10:00

Isolde Marsland, University of Edinburgh

The development of electrode materials from bio-precipitates

10:00 – 10:20

Liam Morgan, University College London

Multiscale modelling of hole localisation in Cu-doped MgO and its link to cuprate superconductivity

10:20 – 10:40

Dr Rob Jackson, Keele University

The evolution of materials modelling and structure prediction

10:40 – 11:10 Refreshment break and exhibition

Session 4 -Chair: Matthew Quesne, University of Leeds

11:10 – 11:50

Professor Begum Tokay, University of Nottingham (Keynote speaker)

Zeolites and Zeolite-like materials addressing emerging problems

11:50 – 12:10

Dr Dongsheng Wen, University of Liverpool

Kagome intermetallic database assembled by topology + geometry approach

12:10 – 12:30

Dr Jon Newnham, The University of Aberdeen

Lithium oxyhalide solid electrolytes with >10 mS/cm ionic conductivities

12:30 – 12:50

Dr Robert Price, University of St. Andrews

Rh/Ce0.80Gd0.20O1.90 co-impregnated La0.20Sr0.25Ca0.45TiO3 fuel electrodes for solid oxide cells: from powder to power

12:50 Prize Giving and Closing Remarks

13:10 Meeting concludes

1 The effects of Jahn-Teller active Cu2+ ions on the phase formation, structural and electrical properties of Ba(Zn1/3-xCuxNb2/3)O3 (0 ≤ x ≤ 0.33) perovskites: evidence of colossal permittivity from an internal barrier layer polarisation mechanism

Kar Ban Tan, Universiti Putra Malaysia

2 Oxide ion intercalation in a geometric ferroelectric

Toby Fairs, University of St Andrews

3 A density functional theory study on the point defects in PuO2

Paris-Rose Dawson, University of Huddersfield

4 New nitride-based anti-perovskites

Chulin Zhang, University of Edinburgh

5 Synthesis methods and characterisation of fluoride ruddlesden-popper phases and perovskites

Gla Sinted, University of Warwick

6 Synthesis and characterisation of Sn(II) carboxylate metal organic frameworks and application in lithium-ion batteries

Xiangting Xiao, University of Warwick

7 Structural and magnetic properties of solvothermally-prepared fluoride perovskites

Craig Hiley, University of Warwick

8 Sustainable Si/C anode for lithium-ion batteries using microwave synthesised Si and pineapple leaf hard carbon anode

Rowan  Brydson, University of Glasgow

9 Grain mapping experiment on two phase coexist CaMnMnWO6 perovskite

Shilin Xu, University of Edinburgh

10 Structurally- and electronically-driven uniaxial negative thermal expansion in hexagonal perovskite BaIrO3

Alexander Browne, University of Edinburgh

11 Control of magnetism via B site order and disorder in Y2NiTiO6 perovskite

Nataliia Hulai, University of Liverpool

12 A new PPMS compatible setup for calorimetry on microcrystals

Maximilian Pelly, University of St Andrews

13 Decoupling structural and electronic dimensionality: 2D transport in a 3D honeycomb chiral stacking

Hai Lin, University of Liverpool

14 Impact of Cu on the sustainable synthesis and thermoelectric properties of half Heusler TiNiSn

Blair Kennedy, University of St Andrews

15 Understanding and optimizing the scintillation properties of GdxLu2-xO3

Stephen Yeandel, University of Bristol

16 Fast freezing for new metastable materials

Michael Milton, University of Edinburgh

17 QM/MM calculation of the ZnO support for Au/ZnO catalyst

Shumin Li, Cardiff University

18 Correlated disorder in LED inorganic phosphor host CaAlSiN3

Maryia Shymanovich, University of Birmingham

19 Operando x-ray studies of proton exchange membrane electrocatalysts for hydrogen production

Kayleigh Skidmore, University of Warwick

20 Design of core-shell polymer nanoparticles

Haider Farouq, Loughborough University

21 Computational structure prediction and analysis of amorphous CaZrCl6 for calcium-ion batteries

Anuththara Bandaranayake Patabandi Mudiyanselage, University of Birmingham

22 Evaluating the structure and electronic properties of Cu2GeSe3 as a high-performance thin film photovoltaic material.

Philippa Cox, University of Birmingham

23 Molecular modelling of hydrogen isotopes permeability in zeolites

Sofiia Stratii, University of Bath

24 Towards higher quality directly recycled TiNb2O7: elimination of lithiated rutile impurity phase

Alex Green, University of Birmingham

25 Dual ionic conductivity in Ba3InGa2O7.5: correlating structure and electrochemical properties

Oliver J Wagstaff, Durham University

26 A glimpse into synthesis at extremes: in-situ characterisation of the formation of perovskite BaRhO3

Sean Injac, University of Edinburgh

27 Investigation into the structure and electronic properties of antiperovskite Mg3AsN for use as a solid electrolyte in Mg-ion batteries.

Milo Carroll, University of Birmingham

28 Making it work: an optimised guide to Al-ion battery coin cell assembly for reliable battery testing

Fiona Simpson, King's College London

29 Computational prediction of LaSb3O9 as a potential transparent conducting oxide

Jack Beattie, University of Birmingham

30 Exsolution in tetragonal tungsten bronzes

Kerry McMahon, University of St Andrews

31 Analysis of KTiOPO4 for application as an anode in potassium-ion batteries

Urvi Joshi, Scanlon Materials Theory Group

32 Classification and statistical analysis of structural disorder in crystalline materials

Chris Collins, University of Liverpool

33 Investigating thermal behaviour in lithium- and sodium-ion batteries

Alexandra Knebel, University of St Andrews

34 Oxyfluoride anion manipulation for functional material design

Batoul Almoussawi, University of Edinburgh

35 Computational Investigation on KSbO3 for transparent conducting oxides

Ling Tan, University of Birmingham

36 Regeneration and upcycling of nickel rich production scrap.

Sebastian Nicholson, University of Birmingham

37 Generation of an MLP to investigate Li2NH as a potential solid electrolyte for lithium-ion batteries

Peter Graham, University of Birmingham

38 Synthesis and characterisation of MgXMnYOδ materials

Hanan Alhothali, University of Sheffield

39 Effect of sintering conditions on the electrical properties of rutile TiO2

Thamraa Alsalem, University of Sheffield

40 High rate capability and cycling stability in multi-domain nanocomposite LiNi1–xTi3x/4O2 positive electrodes

Luke Daniels, University of Liverpool

41 Interstitial oxygen: tuning oxide ion conductivity in palmierite oxides

Dylan Tawse, University of Aberdeem

42 Using machine learning to predict the formation energies of charged point defects in semiconducting materials

Savya Aggarwal, UCL

43 Theoretical investigation of intrinsic defect effects on RE3+ doping in Yttrium Aluminium Garnet (YAG)

Guodong Bian, University of Birmingham

44 Synthesis and characterization of mixed double perovskite (Cs2BX6, B = Te, Sn; X = Cl, Br, I)

Firas Alruwashid, UCL

45 Hidden stoichiometric defects in amorphous metal oxides

Chaiyawat Kaewmeechai, University of Birmingham

46 Tape casting of NASICON electrolytes for high temperature sodium battery applications

Demeke Tegegne, University of St Andrews

47 Mixed-anion NaTaOxCl6-2x oxychlorides: from crystalline to amorphous networks for high Na+ conductivity

Abigail Parsons, University of Birmingham

48 Enhancing ionic conductivity in Li₂ZrCl₆ halide solid electrolytes: synthesis, properties, and applications

Zeshi Li, UCL

49 Acid resilient barium iridate Ba2Ir4O11 electrocatalyst for water electrolysis

Ahmad Hamadi, Warwick University

50 Synthesis and characterisation of the palmierite Zn3V2O8

Scott Rait, University of Aberdeen

51 Computational investigation into the structure of the superionic PbSnF4

Stefan Kolev, Trinity College Dublin

52 Combating heavy metal pollution in water systems in Latin America

Neil Allan, University of Bristol

53 Prediction of new ultra-flexible boron oxide zeolites

Neil Allan, University of Bristol

54 Boron as flux and dopant: facet control and Na⁺ kinetics in O3 layered oxides

Alexis Manche, University of Birmingham

55 Experimental study of fluorite-related vernier and pyrochlore oxyfluorides

Patryk Kudrel, The University of Edinburgh

56 Inversion of the impedance response towards physical parameter extraction in perovskite solar cells using interpretable machine learning

Ricardo Grau-Crespo, Queen Mary University of London

57 Probing the thermal resistance and specific heat of solid-liquid interfaces in nanofluids with molecular dynamics

Ricardo Grau-Crespo, Queen Mary University of London

58 Functionally graded electrodes for solid oxide fuel and electrolysis cells

Samir Boulfrad, College of Science and Engineering - HBKU

59 Ion conduction in disordered solids

Theodosios Famprikis, University of Oxford

60 YBi2O3.5+δSe1-xClx: A family of semiconductors with a charge- and defect-tunable triple fluorite layer

Quinn Gibson, University of Aberdeen

61 Photocatalytic conversion of biomass into valuable products

Nur Ibadat, University of St Andrews

62 Modular intensified ion exchange utilising agitated tubular reactors.

Stephen Donegan, University of Leeds

63 Scalable Free-Standing Amorphous Solid Electrolyte Films for Advanced Lithium Batteries

Shunli He, University College London

64 Analysing the Efficacy of AI and Ab Initio Techniques for Crystal Structure Prediction

George Smith, University of Birmingham