Day 2
The second day will provide hands-on tutorials of software packages enabling and assisting autonomous discovery.
All times are in PT
08:00 - 12:00
Tutorial slots are 45 minutes -- about 30 minutes for the tutorial itself + 15 minutes the discussion
Software Tools for Autonomous Control
Chairs: Marcus Noack, Simon Billinge
8:00 - 8:45: Marcus Noack
gpCAM: Flexible, Powerful, and Easy-to-Use GP-based Physics-Aware Autonomous Data Acquisition
8:45 - 09:30: Gilad Kusne
CAMEO: Accelerate Materials Discovery with Physics-informed Bayesian Active Learning
9:30 - 10:15: Maxim Ziatdinov
AtomAI: Open-Source Software Package for Atomic Scale and Mesoscale Microscopy
10:15 - 11:00 Tijana Radivojevic
Automated Recommendation Tool (ART): Design of Experiments via Probabilistic Predictive Modeling
11:00 - 11:45 Kobi Felton
Summit: Accelerating Reaction Optimization using Machine Learning
11:45 - 12:00
Discussion
Software Tools for Analysis and Infrastructure
Chair: Nicholas Schwarz, Petrus Zwart
8:00 - 8:45: Harinarayan Krishnan
Programming on remote HPC services: A walkthrough of how to leverage low-level services and execute code on HPC
8:45 - 09:30: Michael Tynes
How to GET novel perovskites: using the ESCALATE open-source laboratory automation tool’s REST API to drive the discovery of materials
9:30 - 10:15: Daniel Allan
Integrating black-box ML models with Bluesky
10:15 - 11:00 Loïc Roch
Atinary SDLabs: An end-to-end AI/ML cloud-based platform that enables self-driving labs and accelerates process optimization and materials discovery
11:00 - 11:45 Suhas Somnath
DataFed – a cross-facility scientific data management system
11:45 - 12:00
Discussion