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What's Left for a Computational Chemist To Do in the Age of Machine Learning?

  • Published:2021-04-15 Issue: Volume: Page:
  • ISSN:0021-2148
  • Container-title:Israel Journal of Chemistry
  • language:en
  • Short-container-title:Isr. J. Chem.

Author:

Kulik Heather J.1ORCID

Affiliation:

1. Department of Chemical Engineering Massachusetts Institute of Technology 77 Massachusetts Ave Rm 66–464 Cambridge MA 02139 USA

Funder

Office of Naval Research

Defense Advanced Research Projects Agency

U.S. Department of Energy

National Science Foundation

Publisher

Wiley

Subject

General Chemistry

Reference186 articles.

1.  

2. C. Dykstra G. Frenking K. Kim G. Scuseria Theory and applications of computational chemistry: the first forty years Elsevier 2011;

3. Perspective: Fifty years of density-functional theory in chemical physics

4.  

5. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

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