Insights & Updates
Notes from the engine and the practice
Technical insights, events, workshops, research and software updates, and company news.
UPCOMING
EVENTS & TALKS
October 2026 | UCL
Beyond ARCHER2: navigating the UK HPC landscape
A talk on how UK computational-materials groups plan to work once ARCHER2 retires in November: successor systems, allocation routes, and what changes for hybrid-functional DFT workloads.
UPCOMING
TYC–LJC workshop: defect engineering, automation workflows & AI/ML
An academia/industry workshop bringing together defect engineering, automated DFT workflows, and AI/ML techniques for materials discovery.
WORKSHOPS
TBC | Thomas Young Centre | Royal Society of Chemistry Sponsored
PAST
IGZO oxygen-vacancy formation energies: crystalline and amorphous phases compared
First cross-phase comparison of oxygen-vacancy formation energies in IGZO, run end to end through the platform's five-step method.
RESEARCH UPDATES
September 2026
PAST
nanosystems-defect-workflows adds AiiDA-based provenance tracking
Every calculation in the pipeline now carries full AiiDA provenance — traceable from raw structure to reported formation energy.
SOFTWARE UPDATES
August 2026
PAST
TECHNICAL INSIGHTS
August 2026
Why finite-size corrections matter for charged defects
A short explainer on potential alignment and finite-size correction, and why skipping them quietly wrecks charge-transition-level accuracy.
PAST
COMPANY NEWS
July 2026
Ga₂O₃ added to the onboarding queue
Following IGZO, GaN, GaAs, GaSb and InP, Ga₂O₃ is next in line for full defect characterisation through the platform.