Harnessing complexity in molecular self-assembly using computer simulations

Xiangze Zeng; Lizhe Zhu; Xiaoyan Zheng; Marco Cecchini; Xuhui Huang

doi:10.1039/c7cp06181a

Harnessing complexity in molecular self-assembly using computer simulations

Xiangze Zeng, Lizhe Zhu, Xiaoyan Zheng, Marco Cecchini, Xuhui Huang

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

Computer simulations offer a powerful strategy to explore self-assembly with atomic resolution. Here, we review recent computational studies focusing on both thermodynamic and kinetic aspects.

Original language	English (US)
Pages (from-to)	6767-6776
Number of pages	10
Journal	Physical Chemistry Chemical Physics
Volume	20
Issue number	10
DOIs	https://doi.org/10.1039/c7cp06181a
State	Published - 2018
Externally published	Yes

Bibliographical note

KAUST Repository Item: Exported on 2021-04-06
Acknowledgements: This work was supported by the Hong Kong Research Grant Council (F-HKUST605/15, HKUST C6009-15G, 16305817, 16302214, 16304215, 16318816, AoE/P-705/16, M-HKUST601/13, and T13-607/12R), KAUST16SC02, Shenzhen Science and Technology Innovation Committee (JCYJ20170413173837121), and Innovation and Technology Commission (ITCPD/17-9 and ITC-CNERC14SC01). Funding from Agence Nationale de la Recherche (ANR) through the LabEx project Chemistry of Complex Systems (CSC-MCE-13), the International Center for Frontier Research in Chemistry (icFRC), and PHC PROCORE (3530WG) to M. C. is gratefully acknowledged. X. H. is the Padma Harilela Associate Professor of Science.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1039/c7cp06181a

Cite this

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title = "Harnessing complexity in molecular self-assembly using computer simulations",

abstract = "Computer simulations offer a powerful strategy to explore self-assembly with atomic resolution. Here, we review recent computational studies focusing on both thermodynamic and kinetic aspects.",

author = "Xiangze Zeng and Lizhe Zhu and Xiaoyan Zheng and Marco Cecchini and Xuhui Huang",

note = "KAUST Repository Item: Exported on 2021-04-06 Acknowledgements: This work was supported by the Hong Kong Research Grant Council (F-HKUST605/15, HKUST C6009-15G, 16305817, 16302214, 16304215, 16318816, AoE/P-705/16, M-HKUST601/13, and T13-607/12R), KAUST16SC02, Shenzhen Science and Technology Innovation Committee (JCYJ20170413173837121), and Innovation and Technology Commission (ITCPD/17-9 and ITC-CNERC14SC01). Funding from Agence Nationale de la Recherche (ANR) through the LabEx project Chemistry of Complex Systems (CSC-MCE-13), the International Center for Frontier Research in Chemistry (icFRC), and PHC PROCORE (3530WG) to M. C. is gratefully acknowledged. X. H. is the Padma Harilela Associate Professor of Science. This publication acknowledges KAUST support, but has no KAUST affiliated authors.",

year = "2018",

doi = "10.1039/c7cp06181a",

language = "English (US)",

volume = "20",

pages = "6767--6776",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

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T1 - Harnessing complexity in molecular self-assembly using computer simulations

AU - Zeng, Xiangze

AU - Zhu, Lizhe

AU - Zheng, Xiaoyan

AU - Cecchini, Marco

AU - Huang, Xuhui

N1 - KAUST Repository Item: Exported on 2021-04-06 Acknowledgements: This work was supported by the Hong Kong Research Grant Council (F-HKUST605/15, HKUST C6009-15G, 16305817, 16302214, 16304215, 16318816, AoE/P-705/16, M-HKUST601/13, and T13-607/12R), KAUST16SC02, Shenzhen Science and Technology Innovation Committee (JCYJ20170413173837121), and Innovation and Technology Commission (ITCPD/17-9 and ITC-CNERC14SC01). Funding from Agence Nationale de la Recherche (ANR) through the LabEx project Chemistry of Complex Systems (CSC-MCE-13), the International Center for Frontier Research in Chemistry (icFRC), and PHC PROCORE (3530WG) to M. C. is gratefully acknowledged. X. H. is the Padma Harilela Associate Professor of Science. This publication acknowledges KAUST support, but has no KAUST affiliated authors.

PY - 2018

Y1 - 2018

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AB - Computer simulations offer a powerful strategy to explore self-assembly with atomic resolution. Here, we review recent computational studies focusing on both thermodynamic and kinetic aspects.

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DO - 10.1039/c7cp06181a

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EP - 6776

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 10

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Harnessing complexity in molecular self-assembly using computer simulations

Abstract

Bibliographical note

ASJC Scopus subject areas

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