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Analytical Chemistry

Working Paper

Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Dataset

Sagi Eppel, Haoping Xu, Mor Bismuth, Alan Aspuru-Guzik

Version 3 posted 20 April 2020

1,874

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2

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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

Version 1 posted 12 November 2019

1,391

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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

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

1,424

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Catalysis

Working Paper

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

Sergio Pablo-García, Santiago Morandi, Rodrigo Alejandro Vargas-Hernández, Kjell Jorner, Núria López, Alán Aspuru-Guzik

Version 1 posted 06 October 2022

602

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Energy

Working Paper

Fast and Extensive Intercalation Chemistry in Wadsley-Roth Phase Based High-Capacity Electrodes

Miao Wang, Zhenpeng Yao, Qianqian Li, Yongfeng Hu, Jing Zhang, Jiujun Zhang, Yufeng Zhao, Alan Aspuru-Guzik

Version 1 posted 23 April 2020

1,053

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Analytical Chemistry

Working Paper

Autonomous Titration for Chemistry Classrooms: Preparing Students for Digitized Chemistry Laboratories

Florian Häse, Teresa Tamayo-Mendoza, Carmen Boixo, Jonathan Romero, Loic Roch, Alan Aspuru-Guzik

Version 1 posted 09 April 2020

901

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1

Citations

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

1,817

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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

1,270

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Physical Chemistry

Working Paper

Molecular Engineering of an Alkaline Naphthoquinone Flow Battery

Liuchuan Tong, Marc-Antoni Goulet, Daniel P. Tabor, Emily F. Kerr, Diana De Porcellinis, Eric M. Fell, Alan Aspuru-Guzik, Roy G. Gordon, Michael J. Aziz

Version 1 posted 19 February 2019

1,140

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Refine Search

57 results in Alán Aspuru-Guzik in Authors: Alán Aspuru-Guzik

Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Dataset

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

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

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

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

Fast and Extensive Intercalation Chemistry in Wadsley-Roth Phase Based High-Capacity Electrodes

Autonomous Titration for Chemistry Classrooms: Preparing Students for Digitized Chemistry Laboratories

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

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

Molecular Engineering of an Alkaline Naphthoquinone Flow Battery

57 results in Authors: Alán Aspuru-Guzik