3 papers
cond-mat.mtrl-sci2026
Discovery and recovery of crystalline materials with property-conditioned transformers
Cyprien Bone, Matthew Walker, Bradley A. A. Martin +6
Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing…
cond-mat.mtrl-sci2025
Learning disentangled latent representations facilitates discovery and design of functional materials
Jaehoon Cha, Tingyao Lu, Matthew Walker +1
The discovery of new materials is often constrained by the need for large labelled datasets or expensive simulations. In this study, we explore the use of Disentangling Autoencoder…
cond-mat.mtrl-sci2025
The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?
Matthew Walker, Keith T. Butler
Computational screening has become a powerful complement to experimental efforts in the discovery of high-performance photovoltaic (PV) materials. Most workflows rely on density fu…