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The Journal of Physical Chemistry. A
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February 14, 2025
Transformer-Based Models for Predicting Molecular Structures from Infrared Spectra Using Patch-Based Self-Attention
Wenjin Wu, Aleš Leonardis, Jianbo Jiao, et al.
Faraday Discussions
|
November 4, 2020
Exploring cooperative porosity in organic cage crystals using in situ diffraction and molecular simulations
Linjiang Chen, Yu Che, Andrew I Cooper, et al.
Journal of the American Chemical Society
|
December 1, 2023
Machine Learning Accelerated Exploration of Ternary Organic Heterojunction Photocatalysts for Sacrificial Hydrogen Evolution
Haofan Yang, Yu Che, Andrew I Cooper, et al.
JACS Au
|
May 29, 2026
Autonomous Chemistry and Materials Innovation Driven by Scientific Agents
Zikai Xie, Man Luo, Zixin Ye, et al.
Chemical Science
|
June 7, 2021
Geometric landscapes for material discovery within energy-structure-function maps
Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, et al.
Science Advances
|
August 14, 2021
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps
Edward O Pyzer-Knapp, Linjiang Chen, Graeme M Day, et al.
Chemical Science
|
January 9, 2025
A machine learned potential for investigating single crystal to single crystal transformations in complex organic molecular systems
Chengxi Zhao, Honglai Liu, Da-Hui Qu, et al.
ACS Omega
|
July 26, 2021
In Silico Tuning of the Pore Surface Functionality in Al-MOFs for Trace CH<sub>3</sub>I Capture
Xiaoyu Wu, Linjiang Chen, Eric Jean Amigues, et al.
Chemical Science
|
January 5, 2024
Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules
Zikai Xie, Xenophon Evangelopoulos, Ömer H Omar, et al.
Chemical Science
|
April 18, 2025
Discovery of a molecular adsorbent for efficient CO<sub>2</sub>/CH<sub>4</sub> separation using a computation-ready experimental database of porous molecular materials
Siyuan Yang, Qianqian Mao, Heng Ji, et al.
Page
of 8
Search research articles
Search
Showing results (11-20 of 71) with videos related to
Sort By:
Page
of 8
The Journal of Physical Chemistry. A
|
February 14, 2025
Transformer-Based Models for Predicting Molecular Structures from Infrared Spectra Using Patch-Based Self-Attention
Wenjin Wu, Aleš Leonardis, Jianbo Jiao, et al.
Faraday Discussions
|
November 4, 2020
Exploring cooperative porosity in organic cage crystals using in situ diffraction and molecular simulations
Linjiang Chen, Yu Che, Andrew I Cooper, et al.
Journal of the American Chemical Society
|
December 1, 2023
Machine Learning Accelerated Exploration of Ternary Organic Heterojunction Photocatalysts for Sacrificial Hydrogen Evolution
Haofan Yang, Yu Che, Andrew I Cooper, et al.
JACS Au
|
May 29, 2026
Autonomous Chemistry and Materials Innovation Driven by Scientific Agents
Zikai Xie, Man Luo, Zixin Ye, et al.
Chemical Science
|
June 7, 2021
Geometric landscapes for material discovery within energy-structure-function maps
Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, et al.
Science Advances
|
August 14, 2021
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps
Edward O Pyzer-Knapp, Linjiang Chen, Graeme M Day, et al.
Chemical Science
|
January 9, 2025
A machine learned potential for investigating single crystal to single crystal transformations in complex organic molecular systems
Chengxi Zhao, Honglai Liu, Da-Hui Qu, et al.
ACS Omega
|
July 26, 2021
In Silico Tuning of the Pore Surface Functionality in Al-MOFs for Trace CH<sub>3</sub>I Capture
Xiaoyu Wu, Linjiang Chen, Eric Jean Amigues, et al.
Chemical Science
|
January 5, 2024
Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules
Zikai Xie, Xenophon Evangelopoulos, Ömer H Omar, et al.
Chemical Science
|
April 18, 2025
Discovery of a molecular adsorbent for efficient CO<sub>2</sub>/CH<sub>4</sub> separation using a computation-ready experimental database of porous molecular materials
Siyuan Yang, Qianqian Mao, Heng Ji, et al.
Page
of 8