Comprehensive electronic-structure methods review featured in Nature Materials

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(National Centre of Competence in Research (NCCR) MARVEL) Nicola Marzari, head of EPFL’s THEOS lab and director of NCCR MARVEL, has published with Andrea Ferretti and Chris Wolverton a review of electronic-structure methods as part of a special edition Insight from Nature Materials. It gives an overview of the methods, application to the prediction of materials properties, and examines strategies targeting broader goals of materials design and discovery. The authors consider emerging challenges in predictive accuracy and addressing real-life complexity.

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(National Centre of Competence in Research (NCCR) MARVEL) Nicola Marzari, head of EPFL’s THEOS lab and director of NCCR MARVEL, has published with Andrea Ferretti and Chris Wolverton a review of electronic-structure methods as part of a special edition Insight from Nature Materials. It gives an overview of the methods, application to the prediction of materials properties, and examines strategies targeting broader goals of materials design and discovery. The authors consider emerging challenges in predictive accuracy and addressing real-life complexity.

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