Day 2: Tutorials

Day 2

April 21st, 2021

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

Hands-on tutorials introducing popular software packages

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


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