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Upscaling of dislocation dynamics via automated on-the-fly active learning workflows from atomistics
Presenter
- Soumendu Bagchi
May 14, 2024
IMSI
Modeling Molecular Kinetics with Koopman Operators and Kernel-based Learning
Presenter
- Feliks N\u00fcske
May 13, 2024
IMSI
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states
Presenter
- Paraskevi Gkeka
April 24, 2024
IMSI
A Framework for Generalization Analysis of Machine-Learned Interatomic Potentials: A Case Study on Crystalline Defects
Presenter
- Yangshuai Wang
April 9, 2024
IMSI
Pyiron: workflows for the development and assessment of interatomic potentials
Presenter
- Jan Janssen
April 8, 2024
IMSI
Machine Learning the Exchange And Correlation Functional In DFT
Presenter
- Marivi Fern\u00e1ndez-Serra
March 26, 2024
IMSI
Perspectives and Practice for Scientific Machine Learning in Process Systems: Dynamic Surrogacy and Causal Discovery
Presenter
- Jordan Jalving
March 24, 2024
ICERM
A local, low-dimensional Machine Learning based PDE Solver for modeling engineering applications
Presenter
- Rishikesh Ranade
March 23, 2024
ICERM