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CHIMES IS SURPRISINGLY VERSATILE!
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Classroom Contents
Machine Learning: A Route to High Accuracy Simulation of Complex Reacting Systems
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- 1 Intro
- 2 LAB OVERVIEW
- 3 MANY INTERESTING PROBLEMS INVOLVE CHEMISTRY-DRIVEN EVOLUTI INHERENTLY MULTISCALED SYSTEMS, BUT SIMULATING THEM IS HARD
- 4 WHAT IS A MACHINE LEARNED (ML) INTERATOMIC MODEL (IAM)?
- 5 OUR ML INTERATOMIC MODEL (CHIMES) PROVIDES A PATH FORWARD
- 6 WHAT CAN CHIMES DO?
- 7 CHIMES CAN RAPIDLY TUNE EXISTING MODELS USING MINIMAL TRAINING SETS, VIA "DELTA LEARNING"1-3
- 8 COMPLEX PROBLEMS REQUIRE MORE SOPHISTICATED FITTING FRAMEWORKS
- 9 CHIMES IS SURPRISINGLY VERSATILE!
- 10 QM DOESN'T PREDICT CLUSTERS, BUT WHAT ABOUT LARGE SYSTEMS?
- 11 UNDERSTANDING SHOCKWAVE-DRIVEN NANOCARBON SYNTHESIS
