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Materials Science

Working Paper

Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Fluorescence Rates

Robert Pollice, Pascal Friederich, Cyrille Lavigne, Gabriel dos Passos Gomes, Alan Aspuru-Guzik

1,659

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Theoretical and Computational Chemistry

Working Paper

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Tobias Gensch, Gabriel dos Passos Gomes, Pascal Friederich, Ellyn Peters, Theophile Gaudin, Robert Pollice, Kjell Jorner, AkshatKumar Nigam, Michael Lindner D'Addario, Matthew S. Sigman, Alan Aspuru-Guzik

2,635

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Organometallic Chemistry

Working Paper

MOF Synthesis Prediction Enabled by Automatic Data Mining and Machine Learning

Yi Luo, Saientan Bag, Orysia Zaremba, Jacopo Andreo, Stefan Wuttke, Manuel Tsotsalas, Pascal Friederich

647

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Theoretical and Computational Chemistry

Working Paper

Nanosecond Photodynamics Simulations of a Cis-Trans Isomerization Are Enabled by Machine Learning

Jingbai Li, Patrick Reiser, André Eberhard, Pascal Friederich, Steven Lopez

491

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Theoretical and Computational Chemistry

Working Paper

A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays

Si Yue Guo, Pascal Friederich, Yudong Cao, Tony Wu, Christopher Forman, Douglas Mendoza, Matthias Degroote, Andrew Cavell, Veronica Krasecki, Riley Hickman, Abhishek Sharma, Leroy Cronin, Nathan Gianneschi, Randall Goldsmith, Alan Aspuru-Guzik

1,315

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Organometallic Chemistry

Working Paper

Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex

Pascal Friederich, Gabriel dos Passos Gomes, Riccardo De Bin, Alan Aspuru-Guzik, David Balcells

1,444

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Theoretical and Computational Chemistry

Working Paper

The Influence of Sorbitol Doping on Aggregation and Electronic Properties of PEDOT:PSS: A Theoretical Study

Pascal Friederich, Salvador León, Jose Dario Perea, Loic Roch, Alan Aspuru-Guzik

567

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7 results in Pascal Friederich in Authors: Pascal Friederich

Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Fluorescence Rates

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A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

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MOF Synthesis Prediction Enabled by Automatic Data Mining and Machine Learning

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Nanosecond Photodynamics Simulations of a Cis-Trans Isomerization Are Enabled by Machine Learning

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A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays

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Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex

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The Influence of Sorbitol Doping on Aggregation and Electronic Properties of PEDOT:PSS: A Theoretical Study

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7 results in Authors: Pascal Friederich