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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

Version 1 posted 12 November 2019

1,391

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Theoretical and Computational Chemistry

Working Paper

Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

Gabriel dos Passos Gomes, Robert Pollice, Alan Aspuru-Guzik

Version 1 posted 12 August 2020

2,133

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Theoretical and Computational Chemistry

Working Paper

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

ganesh sivaraman, Nicholas Jackson, Benjamin Sanchez-Lengeling, Alvaro Vazquez-Mayagoitia, Alan Aspuru-Guzik, Venkatram Vishwanath, Juan de Pablo

Version 1 posted 30 September 2019

1,806

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1

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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

Version 1 posted 27 November 2019

1,601

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Physical Chemistry

Working Paper

Excitonics: A universal set of binary gates for molecular exciton processing and signaling

Nicolas Sawaya, Dmitrij Rappoport, Daniel Tabor, Alan Aspuru-Guzik

Version 1 posted 15 August 2017

1,379

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2

Citations

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

Version 1 posted 18 March 2020

689

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Automatic discovery of chemical reactions using imposed activation

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

Version 2 posted 17 November 2020

2,000

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3

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Energy

Working Paper

Discovery of Calcium-Metal Alloy Anodes for Reversible Ca-Ion Batteries

Zhenpeng Yao, Vinay I. Hegde, Alan Aspuru-Guzik, Christopher Wolverton

Version 1 posted 29 October 2018

1,418

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Theoretical and Computational Chemistry

Working Paper

Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry

Dmitrij Rappoport, Alan Aspuru-Guzik

Version 1 posted 22 June 2018

1,375

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Chimera: Enabling Hierarchy Based Multi-Objective Optimization for Self-Driving Laboratories

Florian Häse, Loic Roch, Alan Aspuru-Guzik

Version 1 posted 30 April 2018

1,268

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Refine Search

56 results in Alàn Aspuru-Guzik in Authors: Alàn Aspuru-Guzik

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

Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

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

Excitonics: A universal set of binary gates for molecular exciton processing and signaling

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

Automatic discovery of chemical reactions using imposed activation

Discovery of Calcium-Metal Alloy Anodes for Reversible Ca-Ion Batteries

Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry

Chimera: Enabling Hierarchy Based Multi-Objective Optimization for Self-Driving Laboratories

56 results in Authors: Alàn Aspuru-Guzik