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Explore the fusion of AI and computational chemistry with University of Queensland's researcher, Tim Duignan.
Explore the fusion of AI and computational chemistry with University of Queensland's researcher, Tim Duignan. Learn about transforming our understanding of electrolytes, the art of simulating physical processes using neural networks, and the potential of AI in scientific breakthroughs. Discover Tim's journey creating AI models for complex system predictions and join the discussion on advancing AI's role in future scientific discoveries.
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(00:00:00) About the Show
(00:02:47) Introduction
(00:04:09) Why electrolyte solutions are important
(00:06:53) What properties are we trying to predict with electrolyte solutions?
(00:09:33) Battery fires
(00:13:38) Molecular dynamics
(00:16:40) Time step
(00:18:51) Scaling
(00:23:09) Sponsors: Oracle | Brave
(00:25:17) Decoherence
(00:27:23) Neural Network Potentials
(00:31:04) How big are the models?
(00:35:46) What architecture is used?
(00:38:12) Equivariance (Part 1)
(00:42:29) Sponsors: Omneky | Squad
(00:44:15) Equivariance (Part 2)
(00:44:16) AlphaFold3
(00:46:52) Zero-shot latent space communication
(00:48:21) What is coarse graining?
(00:54:31) How to know if there is no crystallization
(00:56:53) What is the role of water in the simulation?
(01:01:25) Crystallization
(01:05:26) Matching surfaces
(01:09:32) Self-ionization of water
(01:13:22) Active learning
(01:16:41) Temperature
(01:19:20) Ice and water
(01:21:12) Scaling up the model
(01:25:21) Big tech singularity
(01:27:54) China is not far behind
(01:29:15) Safety concerns
(01:31:16) KANs
(01:34:36) The future of scientific progress
(01:39:28) The art of discovery
(01:43:02) One model to rule them all
(01:47:46) AGI, its risks and benefits
(01:50:21) Power vs. Generality
(01:53:01) Generality for Utility
(01:53:40) Outro
