Machine learning meets volcano plots: computational discovery of cross-coupling catalysts-Reference-Cited by-同舟云学术

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

Author:

Meyer Benjamin¹²³⁴⁵,Sawatlon Boodsarin¹²³⁴⁵^ORCID,Heinen Stefan⁶⁷⁸⁹⁵,von Lilienfeld O. Anatole⁶⁷⁸⁹⁵,Corminboeuf Clémence¹²³⁴⁵^ORCID

Affiliation:

1. Laboratory for Computational Molecular Design

2. Institute of Chemical Sciences and Engineering

3. École Polytechnique Fédérale de Lausanne (EPFL)

4. CH-1015 Lausanne

5. Switzerland

6. Institute of Physical Chemistry

7. Department of Chemistry

8. University of Basel

9. CH-4056 Basel

Abstract

The application of modern machine learning to challenges in atomistic simulation is gaining attraction.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

École Polytechnique Fédérale de Lausanne

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

Reference134 articles.

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