Machine learning for new material prediction, what’s next?

Machine learning for high-throughput experimental exploration of metal halide perovskites

10.1016/j.joule.2021.10.001 · 2021

Challenges and opportunities in quantum machine learning

10.1038/s43588-022-00311-3 · 2022

Machine learning makes magnificent macromolecules for medicine

10.1016/j.matt.2022.07.008 · 2022

Machine learning for molecular and materials science

10.1038/s41586-018-0337-2 · 2018

Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations

10.1038/s41570-022-00424-3 · 2022

High-entropy nanoparticles: Synthesis-structure-property relationships and data-driven discovery

10.1126/science.abn3103 · 2022

Electronic-structure methods for materials design

10.1038/s41563-021-01013-3 · 2021

High-throughput routes to biomaterials discovery

10.1021/acs.chemrev.0c01026 · 2021

Computation-guided discovery of coating materials to stabilize the interface between lithium garnet solid electrolyte and high-energy cathodes for all-solid-state lithium batteries

2021

Machine learning accelerates quantum mechanics predictions of molecular crystals

10.1016/j.physrep.2021.08.002 · 2021