Active Learning Exploration of Transition Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores

10 August 2022

Papers citing "Active Learning Exploration of Transition Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores"

3 / 3 papers shown

Title
Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models Jieyu Lu Zhangde Song Qiyuan Zhao Yuanqi Du Yirui Cao Haojun Jia Chenru Duan AI4CE 34 2 0 21 Oct 2024
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 221 500 0 20 Oct 2020
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 144 445 0 16 Sep 2019