Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation · HackerPapers discussions

Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation — mentioned by hnburnsy

Mon, 15 Jan 2024 15:28:15 GMT

From the paper... https://arxiv.org/abs/2401.04070 >Here we demonstrate how this vision became reality by first combining state-of-the-art artificial intelligence (AI) models and traditional physics-based models on cloud high-performance computing (HPC) resources to quickly navigate through more than 32 million candidates and predict around half a million potentially stable materials. By focusing on solid-state electrolytes for battery applications, our discovery pipeline further identified 18 promising candidates with new compositions and rediscovered a decade's worth of collective knowledge…

Paper and discussion history. A mention is not an endorsement.

Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation — mentioned by patwater10

Wed, 10 Jan 2024 17:55:11 GMT

File under big if true though perhaps an area where the hype has outrunned reality. "Their prototype battery uses a novel combination of lithium and sodium, generating enough energy to power a lightbulb, as an initial proof of concept. Researchers acknowledge that the chemistry has yet to be fully proven, and might not work at a larger scale. They say it’s nonetheless a promising development in the quest for alternatives to traditional lithium-ion batteries, which are widely used but have drawbacks such as scarcity, cost, environmental impact and safety."…

Paper and discussion history. A mention is not an endorsement.