Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation-Reference-Cited by-同舟云学术

Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

Published:2018-06-28 Issue:24 Volume:148 Page:241701
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Li Xiayue¹²,Curtis Farren S.³,Rose Timothy¹,Schober Christoph⁴^ORCID,Vazquez-Mayagoitia Alvaro⁵,Reuter Karsten⁴^ORCID,Oberhofer Harald⁴^ORCID,Marom Noa¹³⁶^ORCID

Affiliation:

1. Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA

2. Google, Inc., Mountain View, California 94030, USA

3. Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA

4. Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universiät München, Lichtenbergstr. 4, D-85747 Garching, Germany

5. Argonne Leadership Computing Facility, Argonne National Lab, Lemont, Illinois 60439, USA

6. Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA

Funder

NSF | MPS | Division of Materials Research

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5014038

Reference109 articles.

1. Organic solar cells: An overview

2. Discovery of New Fluorescent Materials from Fast Synthesis and Screening of Conjugated Polymers

3. Porous organic cages

4. Modular and predictable assembly of porous organic molecular crystals

5. Polymorphism − A Perspective

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