Machine learning to tame divergent density functional approximations: a new path to consensus materials design principles

24 June 2021

Papers citing "Machine learning to tame divergent density functional approximations: a new path to consensus materials design principles"

2 / 2 papers shown

Title
Active Learning Exploration of Transition Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores Chenru Duan Aditya Nandy Gianmarco G. Terrones D. Kastner Heather J. Kulik 32 9 0 10 Aug 2022
Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery Aditya Nandy Chenru Duan Heather J. Kulik AI4CE 25 45 0 02 Nov 2021