2 papers
cond-mat.mtrl-sci2026
Conditional Generative Models Enable Targeted Exploration of MAX Phase Design Space
Jamie Swain, Cyprien Bone, Matthew T. Darby +2
MAX phases (MAX), precursors to MXenes, span a vast compositional space, motivating efficient computational screening for synthesisable candidates. We employ CrystaLLM$…
cond-mat.mtrl-sci2025
Nanoscale surface morphology controls charge storage at stepped Pt-water interfaces
Matthew T. Darby, Muhammad Saleh, Marialore Sulpizi +1
Platinum step edges dominate electrocatalytic activity in fuel cells and electrolysers, yet their atomistic electrochemical behaviour remains poorly understood. Here, we employ \te…