All papers authored by Olexandr Isayev
Refreshing results…
2021
Tetiana Zubatiuk 
,
Benjamin Nebgen ,
Nicholas Lubbers,
Justin S. Smith,
Roman Zubatyuk,
Guoqing Zhou ,
Christopher Koh,
Kipton Barros ,
Olexandr Isayev ,
Sergei Tretiak
,
Benjamin Nebgen ,
Nicholas Lubbers,
Justin S. Smith,
Roman Zubatyuk,
Guoqing Zhou ,
Christopher Koh,
Kipton Barros ,
Olexandr Isayev ,
Sergei Tretiak
Machine learned Hückel theory: Interfacing physics and deep neural networks
Download from aip.scitation.org
Nongnuch Artrith ,
Keith T. Butler,
François-Xavier Coudert ,
Seungwu Han,
Olexandr Isayev ,
Anubhav Jain ,
Aron Walsh
,
Keith T. Butler,
François-Xavier Coudert ,
Seungwu Han,
Olexandr Isayev ,
Anubhav Jain ,
Aron Walsh
Best practices in machine learning for chemistry
Download from www.nature.com
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