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CM Seminar: Atomic Cluster Expansion for “Learning” Many-Body Interaction, Christoph Ortner, UBC

October 10 @ 10:00 am - 11:00 am

Speaker: Christoph Ortner, UBC.

Time: 10:00-11:00am

Location: BRIM 311

Title: Atomic Cluster Expansion for “Learning” Many-Body Interaction

Abstract: The integration of machine learning (ML) into the traditional modeling workflows is replacing decades-old – often ad hoc – approximations (e.g., in constitutive laws) leading to new models that far outstrip their predecessors in accuracy and transferability. ”Pure” ML approaches are rarely successful but remarkable results can be achieved when integrated with domain knowledge. I will introduce a general formalism, the Atomic Cluster Expansion, for parameterizing many-body interaction and how it can be used for reduced-order modelling. Examples are taken from interatomic potentials, coarse-grained MD, and VMC.

Details

Date:
October 10
Time:
10:00 am - 11:00 am
Website:

Venue

BRIM 311
2355 East Mall
Vancouver, British Columbia V6T 1Z4 Canada