3 papers
cs.LG2025
Mofasa: A Step Change in Metal-Organic Framework Generation
Vaidotas Simkus, Anders Christensen, Steven Bennett +5
Mofasa is an all-atom latent diffusion model with state-of-the-art performance for generating Metal-Organic Frameworks (MOFs). These are highly porous crystalline materials used to…
cond-mat.mtrl-sci2025
Orb-v3: atomistic simulation at scale
Benjamin Rhodes, Sander Vandenhaute, Vaidotas Å imkus +4
We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering…
cond-mat.mtrl-sci2024
Orb: A Fast, Scalable Neural Network Potential
Mark Neumann, James Gin, Benjamin Rhodes +5
We introduce Orb, a family of universal interatomic potentials for atomistic modelling of materials. Orb models are 3-6 times faster than existing universal potentials, stable unde…