Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character Across Known Transition Metal Complex Ligands

5 May 2022

Papers citing "Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character Across Known Transition Metal Complex Ligands"

3 / 3 papers shown

Title
Many-body Expansion Based Machine Learning Models for Octahedral Transition Metal Complexes Ralf Meyer Daniel B K Chu Heather J. Kulik 26 0 0 12 Oct 2024
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
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 232 504 0 20 Oct 2020