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2023 Roadmap on molecular modelling of electrochemical energy materials
Journal article   Open access   Peer reviewed

2023 Roadmap on molecular modelling of electrochemical energy materials

Chao Zhang, Jun Cheng, Yiming Chen, Maria K Y Chan, Qiong Cai, Rodrigo P Carvalho, Cleber F N Marchiori, Daniel Brandell, C Moyses Araujo, Ming Chen, …
JPhys Energy, Vol.5(4), p.41501
01/10/2023

Abstract

density-functional theory electrocatalysis electrochemical energy storage electrochemical interfaces molecular dynamics simulation Machine Learning
url
https://doi.org/10.1088/2515-7655/acfe9bView
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