AI, Data Science & Cloud Certificates from Google, IBM & Meta — 40% Off
One plan covers every Professional Certificate on Coursera. 40% off Coursera Plus Annual.
Unlock All Certificates
Join this in-depth talk where Tim Duignan and Sander Vandenhaute present Orb-v3, the next generation of universal interatomic potentials for atomistic simulation at scale. Discover how these models expand the performance-speed-memory Pareto frontier, delivering near state-of-the-art performance with over 10x reduction in latency and 8x reduction in memory requirements. Explore systematic experiments that chart the trade-offs between roto-equivariance, conservatism, and graph sparsity. Learn about findings that challenge recent literature, demonstrating how non-equivariant, non-conservative architectures can accurately model physical properties, including those requiring higher-order derivatives of the potential energy surface. Understand the guiding principle behind this model release: creating foundation models for atomic simulation that excel in accuracy, latency, and system size scalability to enable a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.
