Emmanuel Lujan

Postdoctoral Associate at Julia Lab, MIT.

Talks:

20:10 UTC

Automating the composition of ML interatomic potentials in Julia

07/28/2023, 8:10 PM8:20 PM UTC
26-100

Scaling up atomistic simulation models is hampered by expensive calculations of interatomic forces. Machine learning potentials address this challenge and promise the accuracy of first-principles methods at a lower computational cost. This talk presents, as part of the research activities of the CESMIX project, how Julia is used to facilitate automating the composition of a novel neural potential based on the Atomic Cluster Expansion.

Platinum sponsors

JuliaHub

Gold sponsors

ASML

Silver sponsors

Pumas AIQuEra Computing Inc.Relational AIJeffrey Sarnoff

Bronze sponsors

Jolin.ioBeacon BiosignalsMIT CSAILBoeing

Academic partners

NAWA

Local partners

Postmates

Fiscal Sponsor

NumFOCUS