Automating atomistic machine learning
- Dates
- Type
- workshop
- Format
- in-person
- Location
- CECAM-HQ-EPFL, Lausanne, Switzerland
- Organiser
- CECAM
- Official page
- https://www.cecam.org/workshop-details/automating-atomistic-machine-learning-1494
- Topics
This workshop focuses on automating machine-learned interatomic potentials (MLIPs) to make them a routine, accessible tool in computational materials modelling. It covers integrating MLIPs into automation frameworks, tackling challenges like active learning, GPU training, and data provenance. Topics include automating data selection, descriptors, and regression. Key discussions address which parts of MLIP development should be automated, interfacing with DFT infrastructure, the role of pre-trained foundation models and AI agents, and future applications.
Deadlines
| Deadline | Date | Timezone | Note |
|---|---|---|---|
| Application | AoE (Anywhere on Earth) | ||
| Registration | AoE (Anywhere on Earth) |