Molecular library of OLED host materials—Evaluating the multiscale simulation workflow

Anirban Mondal; Leanne Paterson; Jaeyoung Cho; Kun-Han Lin; Bas van der Zee; Gert-Jan A. H. Wetzelaer; Andrei Stankevych; Alexander Vakhnin; Jang-Joo Kim; Andrey Kadashchuk; Paul W. M. Blom; Falk May; Denis Andrienko

doi:10.1063/5.0049513

Molecular library of OLED host materials—Evaluating the multiscale simulation workflow

Anirban Mondal, Leanne Paterson, Jaeyoung Cho, Kun-Han Lin, Bas van der Zee, Gert-Jan A. H. Wetzelaer, Andrei Stankevych, Alexander Vakhnin, Jang-Joo Kim, Andrey Kadashchuk, Paul W. M. Blom, Falk May, Denis Andrienko

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

Original language	English (US)
Pages (from-to)	031304
Journal	Chemical Physics Reviews
Volume	2
Issue number	3
DOIs	https://doi.org/10.1063/5.0049513
State	Published - Jul 26 2021
Externally published	Yes

Bibliographical note

KAUST Repository Item: Exported on 2021-07-28
Acknowledged KAUST grant number(s): CRG
Acknowledgements: D.A. acknowledges the BMBF Grant InterPhase (Grant No. FKZ13N13661) and the European Union Horizon 2020 Research and Innovation Programme ‘Widening Materials Models’ under Grant No. 646259 (MOSTOPHOS). This research has been supported by the King Abdullah University of Science and Technology (KAUST), via the Competitive Research Grants (CRG) Program. D.A. acknowledges KAUST for hosting his sabbatical. The Ukrainian team acknowledges funding through the EU Marie Skłodowska-Curie ITN TADFlife grant (Grant No. 812872). This research was also supported by the European Research Council under the ERC Grant No. 835133 (ULTRA-LUX), VW Foundation,
and by the National Academy of Science of Ukraine (Project No. VC/205) and NRFU 2020.01/0144. K.-H.L. acknowledges the financial support from the Swiss NSF Early Postdoc Mobility fellowship (Grant No. P2ELP2_195156).
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

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10.1063/5.0049513

Cite this

@article{503c8d188adf4ad5857647e50791e8c9,

title = "Molecular library of OLED host materials—Evaluating the multiscale simulation workflow",

author = "Anirban Mondal and Leanne Paterson and Jaeyoung Cho and Kun-Han Lin and {van der Zee}, Bas and Wetzelaer, {Gert-Jan A. H.} and Andrei Stankevych and Alexander Vakhnin and Jang-Joo Kim and Andrey Kadashchuk and Blom, {Paul W. M.} and Falk May and Denis Andrienko",

note = "KAUST Repository Item: Exported on 2021-07-28 Acknowledged KAUST grant number(s): CRG Acknowledgements: D.A. acknowledges the BMBF Grant InterPhase (Grant No. FKZ13N13661) and the European Union Horizon 2020 Research and Innovation Programme {\textquoteleft}Widening Materials Models{\textquoteright} under Grant No. 646259 (MOSTOPHOS). This research has been supported by the King Abdullah University of Science and Technology (KAUST), via the Competitive Research Grants (CRG) Program. D.A. acknowledges KAUST for hosting his sabbatical. The Ukrainian team acknowledges funding through the EU Marie Sk{\l}odowska-Curie ITN TADFlife grant (Grant No. 812872). This research was also supported by the European Research Council under the ERC Grant No. 835133 (ULTRA-LUX), VW Foundation, and by the National Academy of Science of Ukraine (Project No. VC/205) and NRFU 2020.01/0144. K.-H.L. acknowledges the financial support from the Swiss NSF Early Postdoc Mobility fellowship (Grant No. P2ELP2_195156). This publication acknowledges KAUST support, but has no KAUST affiliated authors.",

year = "2021",

month = jul,

day = "26",

doi = "10.1063/5.0049513",

language = "English (US)",

volume = "2",

pages = "031304",

journal = "Chemical Physics Reviews",

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publisher = "American Institute of Physics",

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TY - JOUR

T1 - Molecular library of OLED host materials—Evaluating the multiscale simulation workflow

AU - Mondal, Anirban

AU - Paterson, Leanne

AU - Cho, Jaeyoung

AU - Lin, Kun-Han

AU - van der Zee, Bas

AU - Wetzelaer, Gert-Jan A. H.

AU - Stankevych, Andrei

AU - Vakhnin, Alexander

AU - Kim, Jang-Joo

AU - Kadashchuk, Andrey

AU - Blom, Paul W. M.

AU - May, Falk

AU - Andrienko, Denis

N1 - KAUST Repository Item: Exported on 2021-07-28 Acknowledged KAUST grant number(s): CRG Acknowledgements: D.A. acknowledges the BMBF Grant InterPhase (Grant No. FKZ13N13661) and the European Union Horizon 2020 Research and Innovation Programme ‘Widening Materials Models’ under Grant No. 646259 (MOSTOPHOS). This research has been supported by the King Abdullah University of Science and Technology (KAUST), via the Competitive Research Grants (CRG) Program. D.A. acknowledges KAUST for hosting his sabbatical. The Ukrainian team acknowledges funding through the EU Marie Skłodowska-Curie ITN TADFlife grant (Grant No. 812872). This research was also supported by the European Research Council under the ERC Grant No. 835133 (ULTRA-LUX), VW Foundation, and by the National Academy of Science of Ukraine (Project No. VC/205) and NRFU 2020.01/0144. K.-H.L. acknowledges the financial support from the Swiss NSF Early Postdoc Mobility fellowship (Grant No. P2ELP2_195156). This publication acknowledges KAUST support, but has no KAUST affiliated authors.

PY - 2021/7/26

Y1 - 2021/7/26

UR - http://hdl.handle.net/10754/670305

UR - https://aip.scitation.org/doi/10.1063/5.0049513

U2 - 10.1063/5.0049513

DO - 10.1063/5.0049513

M3 - Article

SN - 2688-4070

VL - 2

SP - 031304

JO - Chemical Physics Reviews

JF - Chemical Physics Reviews

IS - 3

ER -

Molecular library of OLED host materials—Evaluating the multiscale simulation workflow

Bibliographical note

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