Ada Lovelace Centre - Scientific Computing Showcase event

Contribution List

4. Maths highlight - Reducing acquisition and dose in spectral imaging

19/06/2025, 11:00

Speakers: Maike Meier & Lorenzo Lazzarino
🔗 Join via Zoom: https://ukri.zoom.us/j/92256378528

Spectro-microscopy is an experimental technique used to understand differences in chemical state across a sample. This can, for example, be used to understand changes variations across a battery material, corrosion near an an interface or the location ad state of drugs within a cell.
While this...

3. Materials Highlight - Machine learned interatomic potential for high-throughput phonon calculations of metal-organic frameworks​

19/06/2025, 11:20

Speaker Alin-Marin Elena
🔗 Join via Zoom: https://ukri.zoom.us/j/92256378528

Metal-organic frameworks (MOFs) are promising materials for applications like carbon capture, but predicting their phonon-mediated properties (e.g., thermal expansion, mechanical stability) is difficult using traditional DFT due to their complex structures. Existing machine learning models, such as MACE-MP-0,...

5. Biology Highlight - Modernising Macromolecular Diffraction Analysis with DIALS and DiffraView

19/06/2025, 11:40

Speaker: David McDonagh
Macromolecular diffraction analysis is now a mature field with established (X-ray) and newer (neutron, electron) communities. These communities have historically developed separately, with distinct software, despite significant overlap in the problems being addressed. This no longer reflects the needs of the modern researcher, as it is now increasingly common for users...

6. Engineering Highlight - A Particle-in-Cell Study of Space Charge Compensation for ISIS H- Ion Sources

19/06/2025, 13:00

Speaker: Benzi John
🔗 Join via Zoom: https://ukri.zoom.us/j/92256378528

Negative hydrogen ion sources are extensively used in particle accelerators worldwide for a variety of applications (e.g. for high-energy particle physics in CERN and in spallation neutron source facilities like ISIS) and also in magnetic fusion experiments utilising neutral beam injection for plasma heating and...

7. Platforms highlight - The Ada platform for data analysis

19/06/2025, 13:20

Speaker: Jeremy Spencer
🔗 Join via Zoom: https://ukri.zoom.us/j/92256378528

The Ada platform, formerly, Data-Analysis as a service, connects scientists to their data, the right analysis tools and the appropriate computing resources to support their science.
It already plays a vital role at CLF and ISIS, supporting experimental science and is being increasingly used to deliver training...

8. AI Highlight -Learning Fully Semantic Representations across 1D, 2D, and 3D Scientific Data

19/06/2025, 13:40

Speaker: Jaehoon Cha
🔗 Join via Zoom: https://ukri.zoom.us/j/92256378528

Applying AI to the interpretation of scientific data often requires learning representations that are invariant to symmetries such as shifts, translations, and rotations. In this talk, I will present the Disentangling Autoencoder, an encoder–decoder framework designed to extract fully semantic and interpretable...

9. Ada Lovelace Centre - Year in review and next steps

19/06/2025, 14:00

11. Materials Highlight - Machine learned interatomic potential for high-throughput phonon calculations of metal-organic frameworks​

Speaker Alin-Marin Elena
🔗 Join via Zoom: https://ukri.zoom.us/j/92256378528

Metal-organic frameworks (MOFs) are promising materials for applications like carbon capture, but predicting their phonon-mediated properties (e.g., thermal expansion, mechanical stability) is difficult using traditional DFT due to their complex structures. Existing machine learning models, such as MACE-MP-0,...

12. Maths highlight - Reducing acquisition and dose in spectral imaging