Trends in computational molecular catalyst design-Reference-Cited by-同舟云学术

Trends in computational molecular catalyst design

Published:2021 Issue:30 Volume:50 Page:10325-10339
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Soyemi Ademola¹²³⁴,Szilvási Tibor¹²³⁴^ORCID

Affiliation:

1. Department of Chemical and Biological Engineering

2. The University of Alabama

3. Tuscaloosa

4. USA

Abstract

This perspective article summarizes current computational approaches used in molecular catalyst design, highlights their main advantages and limitations as well as the opportunities for automation and advanced machine learning algorithms.

Funder

University of Alabama

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/DT/D1DT01754C

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