JDFTx: Software for joint density-functional theory

• The Intricacies of Computational Electrochemistry

  2025 ACS Energy Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access

  28

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  2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

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• 2023 Roadmap on molecular modelling of electrochemical energy materials

  2023 Journal of Physics Energy article Materials Science Machine Learning in Materials Science Open access

  40

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• Unraveling Local Electrocatalytic Conditions with Theory and Computation

  2023 other Energy Electrocatalysts for Energy Conversion

  1

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• Unconventional non-local relaxation dynamics in a twisted trilayer graphene moiré superlattice

  2022 Nature Communications article Materials Science Graphene research and applications Open access

  38

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• Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments

  2022 Chemical Society Reviews review Energy Electrocatalysts for Energy Conversion Open access cited by 3 patents

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