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Graph atomic cluster expansion and message passing interatomic potentials
Presenter
- Anton Bochkarev
April 12, 2024
IMSI
Sampling Complex Energy Landscapes in Material Science Using Data-Driven Force Fields
Presenter
- Cosmin Marinica
April 12, 2024
IMSI
AIMNet2 family of machine learning potentials: general-purpose and task-specific models for element-organic molecules and radicals, reactions and molecular crystals
Presenter
- Roman Zubatyuk
April 12, 2024
IMSI
Machine Learning Interatomic Potentials to Predict Bond Dissociation Energies
Presenter
- Elena Gelzinyte
April 11, 2024
IMSI
Charge and other advances in the Ch.ACE for next generation interatomic potentials
Presenter
- James Goff
April 11, 2024
IMSI
Multiscale and Data-driven Methods for the Simulation of Materials Failure
Presenter
- James Kermode
April 11, 2024
IMSI
Exploiting linear models for transferability and long-range interactions
Presenter
- Julien Lam
April 11, 2024
IMSI
Machine learning at the mesoscale: advances in analyzing and coarse-graining via data-driven approaches
Presenter
- Rose Cersonsky
April 11, 2024
IMSI
Cartesian atomic cluster expansion for machine learning interatomic potentials
Presenter
- Bingqing Cheng
April 10, 2024
IMSI
Bayesian and Equivariant Force Fields for the Description of Metals in their Bulk, Surface, and Nano-Scale Forms
Presenter
- Cameron Owen
April 10, 2024
IMSI
Information-theoretic approach to atomic cluster expansion (ACE)
Presenter
- Cas van
April 10, 2024
IMSI
Machine-learning of long-range, non-bonded interactions
Presenter
- Michele Ceriotti
April 10, 2024
IMSI