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RESEARCH PAPER · Chemical Communications · 2026

Machine learning-driven high-throughput screening of electrocatalysts and electrolytes for electrochemical surfaces and interfaces

Shun Zou, Lipan Luo, Guanyu Wang, Haochen Shen, Haoyun Bai, Guobin Wen, Bohua Ren, Shuangyin Wang

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Machine learning-driven high-throughput screening of electrocatalysts and electrolytes for electrochemical surfaces and interfacesOriginalToward accelerated electrocatalyst design: synergistic integration of DFT, machine learning, and microkinetic modeling0Tuning Mechanistic Pathways and Ion Selectivity in Micellar Catalysis—A Review0Is the solar photoelectro-Fenton process an alternative for wastewater electro-refineries?0Machine learning-guided design of engineered metal-organic frameworks for sustainable hydrogen storage and production0Computational design of water splitting electrocatalysts: From d-band center to machine learning descriptors0

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  1. Toward accelerated electrocatalyst design: synergistic integration of DFT, machine learning, and microkinetic modeling

    Chemical Communications · 2026-01-01

    Swetarekha Ram, Shalini Tomar, Satadeep Bhattacharjee

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  2. Tuning Mechanistic Pathways and Ion Selectivity in Micellar Catalysis—A Review

    International Journal of Chemical Kinetics · 2026-08-03

    Khalisanni Khalid, Mohammad Hafiz Hamzah

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  3. Is the solar photoelectro-Fenton process an alternative for wastewater electro-refineries?

    Chemical Engineering Journal · 2026-09-17

    Ricardo Salazar-Gonzalez, Karla Lucia Montenegro Rosero, Andrés V. Yar-Hernández, Sebastián Campos, Lynda Pavez, Mariel Godoy, José Herrera-Muñoz, Cristóbal Gaete, Enric Brillas

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  4. Machine learning-guided design of engineered metal-organic frameworks for sustainable hydrogen storage and production

    International Journal of Hydrogen Energy · 2026-09-18

    Sadegh Kaviani, Satyendra Kumar Satyarthi, Mkrtich Yeranosyan

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  5. Computational design of water splitting electrocatalysts: From d-band center to machine learning descriptors

    Applied Energy · 2026-09-28

    Ze-Bin Liu, Fan Min-Tao, Hongchao Shi, Jing‐Huo Chen, Xin‐Zheng Yue

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