Page History
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| Day 2 | ||
|---|---|---|
3:00 - 3:15 | Jordi Blasco (HPCNow!) Dr Elisabeth Ortega (HPCNow!) | When portability and reproducibility also meet performance |
3:15 - 3:30 | Dr Timothy Duignan (Griffith University) | Molecular Simulation with Artificial Intelligence: Demonstrating the Potential of Neural Network Potentials for Electrolyte Solutions |
3:30 - 3:45 | Dr Alicia Schuitemaker (The University of Sydney) A/Prof Asaph Widmer-Cooper (The University of Sydney) | Atomistic simulations of the conversion of lead iodide to methylammonium lead iodide |
3:45 - 4:00 | Dr Giuseppe Barca (The Australian National University) | Enabling exascale quantum chemistry |
4:00 - 4:15 | Tong Xie (UNSW) Yuwei Wan (City University of Hong Kong) Dr Shaozhou Wang (GreenDynamics Pty. Ltd) Prof Kit Chunyu (UNSW) Dr Clara Grazian (The University of Sydney) Prof Bram Hoex (UNSW) | Unsupervised material exploration: harnessing large language models for ground-breaking discoveries |
4:15 - 4:30 | A/Prof David Huang (The University of Adelaide) Huong Nguyen (The University of Adelaide) Marltan Wilson (The University of Adelaide) | Systematic molecular coarse-graining for dynamical simulations using anisotropic particles |
4:30 - 4:45 | Dr Steven Manos (Australian BioCommons) Dr Rhys Francis (Australian BioCommons) Dr Ziad Al Bkhetan (Australian BioCommons) Dr Ove Johan Ragnar Gustafsson (Australian BioCommons) Uwe Winter (Melbourne Bioinformatics) Prof Andrew Lonie (Melbourne Bioinformatics) | Challenges, opportunities and strategies for building national computational platforms for bioinformatics |
4:45 - 5:00 | Discussion | |
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