Schedule
Workshop Agenda
Day 1 Molecular Foundry - Summer School Only
| Time | Activity (@ Molecular Foundry, Building 67, Room 3111) |
|---|---|
| 8:30 | Badge Pick Up (Room 3204) |
| 9:00 | Welcome to Day1 Speaker: Carolin Sutter-Fella & Shijing Sun |
| 9:05 | Openign remarks Speaker: Ashfia Huq (Molecular Foundry Director) & Shannon Ciston (Director of the User Program, Molecular Foundry) |
| 9:15 | AI for materials & Introduction to Halide Perovskites — Speaker: Carolin Sutter-Fella |
| 9:45 | Introduction of Teams and Projects |
| 10:15 | Group photo |
| 10:20 | Break |
| 10:45 | Lab Safety Briefing |
| 11:00 | Begin Working |
| • Task 1: Lab: Manual thin film synthesis (fume hood & glovebox) | |
| • Task 2: Lab: AutoBot perovskite synthesis & characterization | |
| • Task 3: Lab: ALDbot API and operations | |
| • Task 4: Coding: Data analysis & processing | |
| 12:30 | Lunch Break |
| 13:30 | Continue Project Work |
| 14:45 | Break |
| 15:00 | Continue Project Work |
| 16:10 | Continue Project Work |
| 17:15 | Wrap Up Day 1 |
| 17:30 | Dinner |
Day 2 Molecular Foundry - Open to All User Meeting Attendees (Tutorial)
AM: Getting Data Machine Learning Ready
| Time | Activity (@ Building B59, Room 3101) |
|---|---|
| 9:00 | Welcome to Day2 Speaker: Carolin Sutter-Fella & Shijing Sun |
| 9:05 | Summary of day 1 & Perovskite Intro Speaker: Carolin Sutter-Fella |
| 9:30 | Intro Using Google Colab & ChatGPT Guided Coding (Clara Tamura) • Bring your own data • Convert code into Colab notebooks • Connect to data sources • Prepare data for ML & score generation |
| 10:00 | Extracting machine-readable metrics for thin films I (Shuan Cheng) |
| 10:30 | Break |
| 11:00 | Extracting machine-readable metrics for thin films II (Shuan Cheng, Thong Nguyen) • UV-Vis Metric • PL Metrics • PL Image Metric |
| 12:00 | Lunch Break |
PM: Application of Machine Learning
| Time | Activity (@ Building B59, Room 3101) |
|---|---|
| 13:00 | Getting Started with Machine Learning (Maher Alghalayini) •Overview of Machine Learning: Key concepts and types of learning |
| 13:15 | Basics of Gaussian Process Surrogate Models (Maher Alghalayini) •Introduction to Gaussian processes • Practical code implementation of Gaussian processes |
| 14:30 | Break |
| 15:00 | Bayesian Optimization and Active Learning (Clara Tamura) • Color mixing game • How does BO work • Build your own BO |
| 16:30 | Wrap Up Day 2 |
Day 3 Open to All User Meeting Attendees (Symposium)
AM: Plenary Talks
PM: AI/ML Enabled Materials Development
| Time | Activity |
|---|---|
| 13:15 | User Town Hall |
| 14:15 | Introduction to Closed Loop Experiments (Prof. Shijing Sun – Invited) |
| 14:30 | Towards truly universal universal interatomic potentials Luis Barroso-Luque (Meta) – Invited |
| 15:00 | Towards AI-ready experimental data for spectroscopy informatics Dr. Tanjin He (Argonne National Laboratory) – Invited |
| 15:30 | High Throughput Texture Analysis of Quartz via Automated Polarized Reflective Light Microscopy: Mengying Liu - (Washington and Lee University) |
| 15:45 | AI-driven robot enables synthesis-property relation prediction for meal halide perovskites in humid atmosphere Ansuman Halder – AutoBot |
| 16:00 | Closing Remarks – End of Workshop |
| 16:00 | Break & Refreshments |