Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery-Reference-Cited by-同舟云学术

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Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery

Published:2020 Issue:19 Volume:11 Page:4922-4933
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Cheng Chi Y.¹²³⁴⁵^ORCID,Campbell Josh E.¹²³⁴⁵^ORCID,Day Graeme M.¹²³⁴⁵^ORCID

Affiliation:

1. Computational Systems Chemistry

2. School of Chemistry

3. University of Southampton

4. Southampton

5. UK

Abstract

Evolutionary optimisation and crystal structure prediction are used to explore chemical space for molecular organic semiconductors.

Funder

Engineering and Physical Sciences Research Council

FP7 Ideas: European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC00554A

Reference54 articles.

1. The Cambridge Structural Database

2. Crystallography Open Database – an open-access collection of crystal structures

3. Predicting crystal structures of organic compounds

4. Current approaches to predicting molecular organic crystal structures

5. Energy-Structure-Function Maps: Cartography for Materials Discovery

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