4.6 Article

How Machine Learning Will Revolutionize Electrochemical Sciences

期刊

ACS ENERGY LETTERS
卷 6, 期 4, 页码 1422-1431

出版社

AMER CHEMICAL SOC
DOI: 10.1021/acsenergylett.1c00194

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资金

  1. Argonne National Laboratory
  2. U.S. Department of Energy Office of Science [DE-AC02-06CH11357]
  3. European Union's Horizon 2020 Research and Innovation Programme through the European Research Council [772873]
  4. Institut Universitaire de France
  5. EPSRC Faraday Institution MultiScale Modeling project [EP/S003053/1, FIRG003]
  6. Laboratory Directed Research and Development program at Sandia National Laboratories [DE-NA-0003525]
  7. Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy [DE-AR0001211]

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The development time of electrochemical systems is limited by the identification of new materials and understanding their electrochemical response. To shorten this cycle, machine learning can be used for data-driven predictions.
Electrochemical systems function via interconversion of electric charge and chemical species and represent promising technologies for our cleaner, more sustainable future. However, their development time is fundamentally limited by our ability to identify new materials and understand their electrochemical response. To shorten this time frame, we need to switch from the trial-and-error approach of finding useful materials to a more selective process by leveraging model predictions. Machine learning (ML) offers data-driven predictions and can be helpful. Herein we ask if ML can revolutionize the development cycle from decades to a few years. We outline the necessary characteristics of such ML implementations. Instead of enumerating various ML algorithms, we discuss scientific questions about the electrochemical systems to which ML can contribute.

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