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Predicting Potentially Hazardous Chemical Reactions Using Explainable Neural Network
Predicting potentially dangerous chemical reactions is a critical task for laboratory safety. However, a traditional experimental …
Juhwan Kim, Geun Ho Gu, Juhwan Noh, Seongun Kim, Suji Gim, Jaesik Choi, Yousung Jung
Last updated on Dec 29, 2025
DOI
Predicting Potentially Hazardous Chemical Reactions Using Explainable Neural Network
Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation
The extraordinary mass activity of jagged Pt nanowires can substantially improve the economics of the hydrogen evolution reaction …
Geun Ho Gu, Juhyung Lim, Chengzhang Wan, Tao Cheng, Heting Pu, Sungwon Kim, Juhwan Noh, Changhyeok Choi, Juhwan Kim, William A. Goddard III, Xiangfeng Duan, Yousung Jung
DOI
Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation
Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation
The extraordinary mass activity of jagged Pt nanowires can substantially improve the economics of the hydrogen evolution reaction …
Geun Ho Gu, Juhyung Lim, Chengzhang Wan, Tao Cheng, Heting Pu, Sungwon Kim, Juhwan Noh, Changhyeok Choi, Juhwan Kim, William A. Goddard III, Xiangfeng Duan, Yousung Jung
Last updated on Dec 29, 2025
DOI
Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation
Highly Stable Two-Dimensional Bismuth Metal-organic Frameworks for Efficient Electrochemical Reduction of CO2
We report a unique 2D bismuth metal-organic framework (Bi-MOF) that possesses permanent accessible porosity for efficient …
Fang Li, Geun Ho Gu, Changhyeok Choi, Praveen Kolla, Song Hong, Tai-Sing Wu, Yun-Liang Soo, Justus Masa, Sanjeev Mukerjee, Yousung Jung, Jieshan Qiu, Zhenyu Sun
DOI
Highly Stable Two-Dimensional Bismuth Metal-organic Frameworks for Efficient Electrochemical Reduction of CO2
Highly Stable Two-Dimensional Bismuth Metal-organic Frameworks for Efficient Electrochemical Reduction of CO2
We report a unique 2D bismuth metal-organic framework (Bi-MOF) that possesses permanent accessible porosity for efficient …
Fang Li, Geun Ho Gu, Changhyeok Choi, Praveen Kolla, Song Hong, Tai-Sing Wu, Yun-Liang Soo, Justus Masa, Sanjeev Mukerjee, Yousung Jung, Jieshan Qiu, Zhenyu Sun
Last updated on Dec 29, 2025
DOI
Highly Stable Two-Dimensional Bismuth Metal-organic Frameworks for Efficient Electrochemical Reduction of CO2
Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning
Predicting the synthesizability of inorganic materials is one of the major challenges in accelerated material discovery. A widely …
Jidon Jang, Geun Ho Gu, Juhwan Noh, Juhwan Kim, Yousung Jung
DOI
Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning
Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning
Predicting the synthesizability of inorganic materials is one of the major challenges in accelerated material discovery. A widely …
Jidon Jang, Geun Ho Gu, Juhwan Noh, Juhwan Kim, Yousung Jung
Last updated on Dec 29, 2025
DOI
Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning
Generative Adversarial Networks for Crystal Structure Prediction
The constant demand for novel functional materials calls for efficient strategies to accelerate the materials discovery, and crystal …
Sungwon Kim, Juhwan Noh, Geun Ho Gu, Alan Aspuru-Guzik, Yousung Jung
DOI
Generative Adversarial Networks for Crystal Structure Prediction
Generative Adversarial Networks for Crystal Structure Prediction
The constant demand for novel functional materials calls for efficient strategies to accelerate the materials discovery, and crystal …
Sungwon Kim, Juhwan Noh, Geun Ho Gu, Alan Aspuru-Guzik, Yousung Jung
Last updated on Dec 29, 2025
DOI
Generative Adversarial Networks for Crystal Structure Prediction
Machine-enabled inverse design of inorganic solid materials: promises and challenges
Developing high-performance advanced materials requires a deeper insight and search into the chemical space. Until recently, …
Juhwan Noh, Geun Ho Gu, Sungwon Kim, Yousung Jung
DOI
Machine-enabled inverse design of inorganic solid materials: promises and challenges