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The Journal of Chemical Physics
|
June 1, 2023
Beyond independent error assumptions in large GNN atomistic models
Janghoon Ock, Tian Tian, John Kitchin, et al.
Journal of Chemical Information and Modeling
|
April 5, 2023
<i>WhereWulff</i>: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions
Rohan Yuri Sanspeur, Javier Heras-Domingo, John R Kitchin, et al.
Journal of Biomedical Optics
|
January 11, 2007
Visualization of biological texture using correlation coefficient images
Alexander P Sviridov, Zachary Ulissi, Victor Chernomordik, et al.
ACS Nano
|
March 11, 2014
Quantitative theory of adsorptive separation for the electronic sorting of single-walled carbon nanotubes
Rishabh M Jain, Kevin Tvrdy, Rebecca Han, et al.
The Journal of Physical Chemistry Letters
|
March 20, 2020
Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening
Geun Ho Gu, Juhwan Noh, Sungwon Kim, et al.
The Journal of Chemical Physics
|
May 14, 2022
Transfer learning using attentions across atomic systems with graph neural networks (TAAG)
Adeesh Kolluru, Nima Shoghi, Muhammed Shuaibi, et al.
ACS Central Science
|
May 27, 2024
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture
Anuroop Sriram, Sihoon Choi, Xiaohan Yu, et al.
Nature
|
May 15, 2020
Accelerated discovery of CO<sub>2</sub> electrocatalysts using active machine learning
Miao Zhong, Kevin Tran, Yimeng Min, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
June 1, 2023
Beyond independent error assumptions in large GNN atomistic models
Janghoon Ock, Tian Tian, John Kitchin, et al.
Journal of Chemical Information and Modeling
|
April 5, 2023
<i>WhereWulff</i>: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions
Rohan Yuri Sanspeur, Javier Heras-Domingo, John R Kitchin, et al.
Journal of Biomedical Optics
|
January 11, 2007
Visualization of biological texture using correlation coefficient images
Alexander P Sviridov, Zachary Ulissi, Victor Chernomordik, et al.
ACS Nano
|
March 11, 2014
Quantitative theory of adsorptive separation for the electronic sorting of single-walled carbon nanotubes
Rishabh M Jain, Kevin Tvrdy, Rebecca Han, et al.
The Journal of Physical Chemistry Letters
|
March 20, 2020
Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening
Geun Ho Gu, Juhwan Noh, Sungwon Kim, et al.
The Journal of Chemical Physics
|
May 14, 2022
Transfer learning using attentions across atomic systems with graph neural networks (TAAG)
Adeesh Kolluru, Nima Shoghi, Muhammed Shuaibi, et al.
ACS Central Science
|
May 27, 2024
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture
Anuroop Sriram, Sihoon Choi, Xiaohan Yu, et al.
Nature
|
May 15, 2020
Accelerated discovery of CO<sub>2</sub> electrocatalysts using active machine learning
Miao Zhong, Kevin Tran, Yimeng Min, et al.
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of 1