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Filtering by: Keyword density-functional theory

2023 Roadmap on molecular modelling of electrochemical energy materials

Description/Abstract:

Overall, this roadmap originating from 20 groups in 11 countries serves as a gateway for both the experts and the beginners to have a qui...

Keyword:

density-functional theory, electrocatalysis, electrochemical energy storage, electrochemical interfaces, machine learning, and molecular dynamics simulation

Resource Type:

Article

Author:

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, Xiangyu Ji, Guang Feng, Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne, Toshihiko Mandai, Tomooki Hosaka, Mirna Alhanash, Patrik Johansson, Yun-Ze Qiu, Hai Xiao, Michael Eikerling, Ryosuke Jinnouchi, Marko M Melander, Georg Kastlunger, Assil Bouzid, Alfredo Pasquarello, Seung-Jae Shin, Minho M Kim, Hyungjun Kim, Kathleen Schwarz, and Ravishankar Sundararaman

Journal:

Journal of Physics-Energy

Date Uploaded:

05/03/2024