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Physical Chemistry

Working Paper

Electrowinning for room-temperature ironmaking: Mapping the electrochemical aqueous iron interface

Lance Kavalsky, Venkatasubramanian Viswanathan

Version 1 posted 21 March 2024

346

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Theoretical and Computational Chemistry

Working Paper

Inverse Design of Ligands Using A Deep Generative Model Semi-supervised by A Data-driven Ligand Field Strength Metric

Zhi-Hang Lee, Po Chuan Lin, Tzuhsiung Yang

Version 2 posted 03 March 2023

445

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Theoretical and Computational Chemistry

Working Paper

Deep Neural Network Assisted Quantum Chemistry Calculations on Quantum Computers

Kalpak Ghosh, Sumit Kumar, Nirmal M. R., Sharma S. R. K. C. Yamijala

Version 1 posted 30 October 2023

271

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Organic Chemistry

Working Paper

Keeping an “eye” on the experiment: computer vision for real-time monitoring and control

Rama El-khawaldeh, Mason Guy, Finn Bork, Nina Taherimakhsousi, Kris Jones, Joel Hawkins, Lu Han, Robert Pritchard, Sebastien Monfette, Jason Hein

Version 1 posted 08 November 2023

250

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Catalysis

Working Paper

Using Classifiers to Predict Catalyst Design for Polyketone Microstructure

Yin-Pok Wong, Shiyun Lin, Hyuk-Joon Jung, Matthew Shammami, Hootan Roshandel, Henry Dodge, Scott Chapp, Lorenzo Ruiz De Castilla, Dunwei Wang, Loi Do, Chong Liu, Alexander Miller, Paula Diaconescu

Version 1 posted 22 August 2024

168

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Organic Chemistry

Working Paper

Factorizing Yields in Buchwald-Hartwig Amination

Tatyana Krivobokova, Gianluca Finocchio, Boris Maryasin

Version 1 posted 04 August 2023

327

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Catalysis

Working Paper

Operation of Amorphous TiO2 Protected Photocathodes Described with the Maxwell Equivalent Circuit

Erin Service, Thomas Moehl, David Tilley

Version 1 posted 10 May 2024

127

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Theoretical and Computational Chemistry

Working Paper

Precise estimation of activation energies in gas-phase chemical reactions via artificial neural network

Guo-Jin Cao, Sheng-Jie Lu

Version 2 posted 01 August 2024

170

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Catalysis

Working Paper

Ni–Mo Composites Deliver Performance Parity with Pt–Ru in Anion Exchange Membrane Water Electrolyzer Cathodes

Advay Shirwalkar, Manjodh Kaur, Sichen Zhong, Max Pupucevski, Keda Hu, Yushan Yan, Judith Lattimer, James McKone

Version 1 posted 13 November 2024

78

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Biological and Medicinal Chemistry

Working Paper

Laryngeal Cancer Diagnosis via miRNA-based Decision Tree Model

Aarav Arora, Igor Tsigelny, Valentina Kouznetsova

Version 1 posted 31 October 2023

221

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Refine Search

88 results in hydrogen evolution, machine learning in Keywords: hydrogen evolution, machine learning

Electrowinning for room-temperature ironmaking: Mapping the electrochemical aqueous iron interface

Inverse Design of Ligands Using A Deep Generative Model Semi-supervised by A Data-driven Ligand Field Strength Metric

Deep Neural Network Assisted Quantum Chemistry Calculations on Quantum Computers

Keeping an “eye” on the experiment: computer vision for real-time monitoring and control

Using Classifiers to Predict Catalyst Design for Polyketone Microstructure

Factorizing Yields in Buchwald-Hartwig Amination

Operation of Amorphous TiO2 Protected Photocathodes Described with the Maxwell Equivalent Circuit

Precise estimation of activation energies in gas-phase chemical reactions via artificial neural network

Ni–Mo Composites Deliver Performance Parity with Pt–Ru in Anion Exchange Membrane Water Electrolyzer Cathodes

Laryngeal Cancer Diagnosis via miRNA-based Decision Tree Model

88 results in Keywords: hydrogen evolution, machine learning