Papers | Cyprien Bone

MAX phase paper out in J. Mater. Chem. C

Thu, 23 Jul 2026 00:00:00 +0000

Jamie’s paper is out in Journal of Materials Chemistry C. It uses CrystaLLM-π to explore the MAX phase design space.

Six open questions in MLIP foundation models

Fri, 05 Jun 2026 00:00:00 +0000

A perspective on foundation machine-learned interatomic potentials, written as a journal club as well as some other researchers in the field. We go through six questions we think will shape the area of MLIPs over the next few years.

CrystaLLM-π preprint is out

Wed, 26 Nov 2025 00:00:00 +0000

The CrystaLLM-π preprint is on arXiv! We inject continuous properties straight into the transformer’s attention, so the model keeps what it learned in pre-training while being steered towards a target. Example applications in the paper include recovering structures from X-ray diffraction patterns, and discover new photovoltaic candidates that we then checked with DFT.