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Theoretical and Computational Chemistry

Working Paper

Classification of Platinum Nanoparticle Catalysts using Machine Learning

Amanda J. Parker, George Opletal, Amanda Barnard

Version 1 posted 21 May 2020

656

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Theoretical and Computational Chemistry

Working Paper

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Steven Torrisi, Matthew Carbone, Brian Rohr, Joseph H. Montoya, Yang Ha, Junko Yano, Santosh Suram, Linda Hung

Version 1 posted 20 February 2020

753

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Nanoscience

Working Paper

Selecting Machine Learning Models for Metallic Nanoparticles

Amanda Barnard, George Opletal

Version 1 posted 15 May 2020

638

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Polymer Science

Working Paper

Sustainable Polymers Square Table Final Report

Juan de Pablo, Marc Hillmyer, Jeffrey Buenaflor, Daphne Chan, Josh Mysona, Phil Rauscher, Caitlin Sample, Ludwig Schneider

Version 1 posted 03 August 2021

1,595

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2

Citations

Organic Chemistry

Working Paper

PhactorTM – a High Throughput Experimentation Management System

Tim Cernak, Babak Mahjour

Version 1 posted 30 October 2020

1,713

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4

Citations

Chemical Education

Working Paper

Math matters or maybe not: An astonishing independence between math and rate of learning in chemistry

Kenneth R. Koedinger, Mark Blaser, Elizabeth A. McLaughlin, Hui Cheng, David J. Yaron

Version 1 posted 12 November 2024

69

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Materials Science

Working Paper

Data-Driven Exploration of Silver Nanoplate Formation in Multidimensional Chemical Design Spaces

Huat Thart Chiang, Kiran Vaddi, Lilo D. Pozzo

Version 1 posted 29 August 2023

181

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Materials Science

Working Paper

A bridge between trust and control: Computational workflows meet automated battery cycling

Peter Kraus, Edan Bainglass, Francisco F. Ramirez, Enea Svaluto-Ferro, Loris Ercole, Benjamin Kunz, Sebastiaan P. Huber, Nukorn Plainpan, Nicola Marzari, Corsin Battaglia, Giovanni Pizzi

Version 1 posted 08 November 2023

309

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Organic Chemistry

Working Paper

Oxoammonium-Catalyzed Oxidation of N-Substituted Amines

Jonas Rein, Bartosz Górski, Yukun Cheng, Zhen Lei, Frederic Buono, Song Lin

Version 1 posted 26 August 2024

1,236

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Energy

Working Paper

Galvanic Corrosion Underlies Coulombic Efficiency Differences in High-Performing Lithium Metal Battery Electrolytes

Solomon T. Oyakhire, Sang Cheol Kim, Wenbo Zhang, Sanzeeda Baig Shuchi, Yi Cui, Stacey F. Bent

Version 1 posted 05 November 2024

665

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29 results in Data Science in Keywords: Data Science

Classification of Platinum Nanoparticle Catalysts using Machine Learning

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Selecting Machine Learning Models for Metallic Nanoparticles

Sustainable Polymers Square Table Final Report

PhactorTM – a High Throughput Experimentation Management System

Math matters or maybe not: An astonishing independence between math and rate of learning in chemistry

Data-Driven Exploration of Silver Nanoplate Formation in Multidimensional Chemical Design Spaces

A bridge between trust and control: Computational workflows meet automated battery cycling

Oxoammonium-Catalyzed Oxidation of N-Substituted Amines

Galvanic Corrosion Underlies Coulombic Efficiency Differences in High-Performing Lithium Metal Battery Electrolytes

29 results in Keywords: Data Science