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CHGNet - Introduction and Tutorial - SciML webinar

Автор: MaterialsProject

Загружено: 2023-11-10

Просмотров: 5014

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Original upload:    • B. Deng: CHGNet, pre-trained universal int...  
Shared here with permission. Thanks Ridwan Sakidja!

Seminar Page: https://micde.umich.edu/event/sciml-w...
CHGNet paper: https://www.nature.com/natmachintell/...

The need to quickly discover new materials and to understand their underlying physics in the presence of complex electron interactions calls for advanced simulation tools. Deng et al. propose CHGNet, a graph-neural-network-based machine learning interatomic potential that incorporates charge information. Pretrained on over 1.5 million inorganic crystal structures, CHGNet opens new opportunities for insights into ionic systems with charge interactions.

CHGNet - Introduction and Tutorial - SciML webinar

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