InvDesFlow-AL combines active learning with diffusion generative models to improve crystal structure prediction accuracy by 33% and identifies Li2AuH6 as a candidate BCS superconductor with 140 K transition temperature.
A review of smart materials for the boost of soft actuators, soft sensors, and robotics applications.Chinese Journal of Mechanical Engineering, 35(1):37, 2022
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InvDesFlow-AL: active learning-based workflow for inverse design of functional materials
InvDesFlow-AL combines active learning with diffusion generative models to improve crystal structure prediction accuracy by 33% and identifies Li2AuH6 as a candidate BCS superconductor with 140 K transition temperature.