Mapping Synthetic Accessibility in Inorganic Materials Discovery

Add to your list(s) Download to your calendar using vCal

• Matthew McDermott, Newfound Materials, USA
• Monday 03 November 2025, 14:30-15:00
• https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09.

If you have a question about this talk, please contact Isaac Parker.

AI-driven crystal structure generation has led to an explosion of hypothetical inorganic compounds, many of which will never be successfully synthesized in the lab. In this talk, I will present a reaction network-based framework for evaluating the synthetic accessibility of inorganic materials. Rather than relying solely on thermodynamic or heuristic “synthesizability” scores, our approach explicitly models the network of possible reactions leading to a target phase and scores pathways based on their driving forces, selectivity, and practical processing constraints, resulting in a more realistic picture of what can actually be made in the lab. We find that even thermodynamically favorable materials may lack viable synthetic routes under conventional conditions, but expanding the reaction and process search space can reveal new, experimentally accessible pathways. Our framework is implemented into a cloud-based application designed to accelerate synthesis planning and bridge the gap between prediction and realization within the materials research community.

This talk is part of the Lennard-Jones Centre series.

This talk is included in these lists:

• Hanchen DaDaDash
• Lennard-Jones Centre
• https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09

Note that ex-directory lists are not shown.