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Materials Science

Working Paper

Efficient prediction of structural and electronic properties of hybrid 2D materials using complementary DFT and machine learning approaches

Sherif Tawfik, Olexandr Isayev, Catherine Stampfl, Joseph Shapter, David Winkler, Michael J. Ford

Version 4 posted 20 August 2018

1,640

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Materials Science

Working Paper

Machine Learning-Enhanced High-Throughput Fabrication and Optimization of Quasi-2D Ruddlesden-Popper Perovskite Solar Cells

Nastaran Meftahi, Maciej Adam Surmiak, Sebastian O. Furer, Kevin James Rietwyk, Jianfeng Lu, Sonia Ruiz Raga, Caria Evans, Monika Michalska, Hao Deng, David P. McMeekin, Tuncay Alan, Dechan Angmo, Doojin Vak, Anthony Chesman, Andrew J. Christofferson, David A. Winkler, Udo Bach, Salvy P. Russo

Version 1 posted 12 September 2022

588

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Theoretical and Computational Chemistry

Working Paper

A systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

Sachini P. Kadaoluwa Pathirannahalage, Nastaran Meftahi, Aaron Elbourne, Alessia C. G. Weiss, Chris F. McConville, Agilio Padua, David A. Winkler, Margarida Costa Gomes, Tamar L. Greaves, Quinn A. Besford, Tu C. Le, Andrew J. Christofferson

Version 1 posted 06 July 2021

4,139

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Biological and Medicinal Chemistry

Working Paper

Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase

Sakshi Piplani, Puneet Singh, David Winkler, Nikolai Petrovsky

Version 1 posted 04 March 2022

247

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3

Citations

Polymer Science

Working Paper

Machine Learning-assisted Exploration of a Universal Polymer Platform with Charge Transfer-dependent Full-color Emission

suiying ye, Nastaran Meftahi, Igor Lyskov, tian tian, Sudhir Kumar, Andrew Christofferson, David Winkler, Chih-Jen Shih, Salvy Russo, Jean-Christophe Leroux, Yinyin Bao

Version 1 posted 18 May 2022

634

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Chemical Engineering and Industrial Chemistry

Working Paper

Responsible Science, Engineering and Education for Water Resource Recovery and Circularity

David G. Weissbrodt, Mari K. H. Winkler, George F. Wells

Version 1 posted 30 April 2020

558

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Nanoscience

Working Paper

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

Jeaphianne van Rijn, Antreas Afantitis, Mustafa Culha, Maria Dusinska, Thomas Exner, Nina Jeliazkova, Eleonora Marta Longhin, Iseult Lynch, Georgia Melagraki, Penny Nymark, Anastasios G. Papadiamantis, David A. Winkler, Hulya Yilmaz, Egon Willighagen

Version 1 posted 09 July 2021

373

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1

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Refine Search

7 results in David Winkler in Authors: David Winkler

Efficient prediction of structural and electronic properties of hybrid 2D materials using complementary DFT and machine learning approaches

Machine Learning-Enhanced High-Throughput Fabrication and Optimization of Quasi-2D Ruddlesden-Popper Perovskite Solar Cells

A systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase

Machine Learning-assisted Exploration of a Universal Polymer Platform with Charge Transfer-dependent Full-color Emission

Responsible Science, Engineering and Education for Water Resource Recovery and Circularity

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

7 results in Authors: David Winkler