journal article·2022-05Open access

Implications of the BATTERY 2030+ AI‐Assisted Toolkit on Future Low‐TRL Battery Discoveries and Chemistries

Arghya Bhowmik, Maitane Berecibar, Montse Casas‐Cabanas, Gabor Csanyi, Robert Dominko, Kersti Hermansson, M. Rosa Palacin, Helge S. Stein, Tejs Vegge

Advanced Energy Materials· Volume 12· Issue 17

Abstract

Abstract BATTERY 2030+ targets the development of a chemistry neutral platform for accelerating the development of new sustainable high‐performance batteries. Here, a description is given of how the AI‐assisted toolkits and methodologies developed in BATTERY 2030+ can be transferred and applied to representative examples of future battery chemistries, materials, and concepts. This perspective highlights some of the main scientific and technological challenges facing emerging low‐technology readiness level (TRL) battery chemistries and concepts, and specifically how the AI‐assisted toolkit developed within BIG‐MAP and other BATTERY 2030+ projects can be applied to resolve these. The methodological perspectives and challenges in areas like predictive long time‐ and length‐scale simulations of multi‐species systems, dynamic processes at battery interfaces, deep learned multi‐scaling and explainable AI, as well as AI‐assisted materials characterization, self‐driving labs, closed‐loop optimization, and AI for advanced sensing and self‐healing are introduced. A description is given of tools and modules can be transferred to be applied to a select set of emerging low‐TRL battery chemistries and concepts covering multivalent anodes, metal‐sulfur/oxygen systems, non‐crystalline, nano‐structured and disordered systems, organic battery materials, and bulk vs. interface‐limited batteries.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Machine Learning in Materials Science · Advancements in Battery Materials · Advanced Battery Technologies Research

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Energy Conversion and Storage Anker Engelunds Vej Building 301 Kgs Lyngby DK‐2800 Denmark

Battery Innovation Center MOBI Research Group Vrije Universiteit Brussel Pleinlaan 2 Brussels 1050 Belgium

Center for Cooperative Research on Alternative Energies (CIC energiGUNE) Basque

Research and Technology Alliance (BRTA) Parque Tecnológico de Alava Albert Einstein 48 Vitoria‐Gasteiz 01510 Spain

IKERBASQUE Basque Foundation for Science María Díaz de Haro 3 Bilbao 48013 Spain

Alistore ERI Amiens France

Engineering Laboratory University of Cambridge Trumpington Street Cambridge CB2 1PZ UK

National institute of Chemistry Hajdrihova 19 Ljubljana 1000 Slovenia

FKKT University of Ljubljana Večna pot 113 Ljubljana 1000 Slovenia

Department of Chemistry‐Ångström Box 531 Uppsala S‐75121 Sweden

Institut de Ciencia de Materials de Barcelona ICMAB‐CSIC Campus UAB Bellaterra Catalonia 08193 Spain

Helmholtz Institute Ulm Helmholtzstr. 11 89081 Ulm Germany

Institute for Physical Chemistry Karlsruhe Institute of Technology Fritz‐Haber Weg 2 76131 Karlsruhe Germany

Funding

Javna Agencija za Raziskovalno Dejavnost RS · Deutsche Forschungsgemeinschaft · H2020 European Research Council

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