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Catalysis

Working Paper

Direction-based Graph Representation to Accelerate Stable Catalysts Discovery

Dong Hyeon Mok, Jongseung Kim, Seoin Back

Version 1 posted 30 September 2022

402

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Catalysis

Working Paper

Understanding Catalytic Activity Trends of Electrochemical Ammonia Oxidation Reaction using Density Functional Theory Calculations and Microkinetic Modeling

Ho Yeon Jang, Seoin Back

Version 1 posted 23 December 2021

741

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Materials Chemistry

Working Paper

Chemically Inspired Convolutional Neural Network using Electronic Structure Representation

Dong Hyeon Mok, Daeun Shin, Jonggeol Na, Seoin Back

Version 1 posted 30 January 2023

468

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Theoretical and Computational Chemistry

Working Paper

Atomic Structure-free Representation of Active Motifs for Expedited Catalyst Discovery

Dong Hyeon Mok, Seoin Back

Version 2 posted 12 May 2021

458

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Theoretical and Computational Chemistry

Working Paper

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

Seoin Back, Junwoong Yoon, Nianhan Tian, Wen Zhong, Kevin Tran, Zachary Ulissi

Version 1 posted 21 May 2019

1,120

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Catalysis

Working Paper

An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

Seoin Back, Jonggeol Na, Zachary Ulissi

Version 1 posted 13 October 2020

1,365

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Theoretical and Computational Chemistry

Working Paper

Towards a Design of Active Oxygen Evolution Catalysts: Insights from Automated Density Functional Theory Calculations and Machine Learning

Seoin Back, Kevin Tran, Zachary Ulissi

Version 1 posted 02 April 2019

1,619

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Catalysis

Working Paper

Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides

Seoin Back, Kevin Tran, Zachary Ulissi

Version 1 posted 10 April 2020

1,418

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Catalysis

Working Paper

Kinetic Origins of Limited C-C coupling on Dual-Atom Catalysts in Electrochemical CO2 reduction

Hyun Dong Jung, Hyeong Jun Kim, Seoin Back

Version 1 posted 24 June 2025

79

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Materials Science

Working Paper

Unraveling the Dynamic Evolution of Cu-N-C during Electrochemical CO2 reduction: A Constant-Potential Ab-Initio Molecular Dynamics study

Hyun Dong Jung, Gwonho Yu, Hyeong Jun Kim, Seoin Back

Version 1 posted 24 June 2025

124

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Refine Search

10 results in Seoin Back in Authors: Seoin Back

Direction-based Graph Representation to Accelerate Stable Catalysts Discovery

Understanding Catalytic Activity Trends of Electrochemical Ammonia Oxidation Reaction using Density Functional Theory Calculations and Microkinetic Modeling

Chemically Inspired Convolutional Neural Network using Electronic Structure Representation

Atomic Structure-free Representation of Active Motifs for Expedited Catalyst Discovery

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

Towards a Design of Active Oxygen Evolution Catalysts: Insights from Automated Density Functional Theory Calculations and Machine Learning

Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides

Kinetic Origins of Limited C-C coupling on Dual-Atom Catalysts in Electrochemical CO2 reduction

Unraveling the Dynamic Evolution of Cu-N-C during Electrochemical CO2 reduction: A Constant-Potential Ab-Initio Molecular Dynamics study

10 results in Authors: Seoin Back