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Journal of the American Chemical Society
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October 13, 2021
Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal-Organic Frameworks
Aditya Nandy, Chenru Duan, Heather J Kulik
Annual Review of Chemical and Biomolecular Engineering
|
March 23, 2022
Machine Learning for the Discovery, Design, and Engineering of Materials
Chenru Duan, Aditya Nandy, Heather J Kulik
The Journal of Physical Chemistry. B
|
December 1, 2023
Discovering Molecular Coordination Environment Trends for Selective Ion Binding to Molecular Complexes Using Machine Learning
Shuwen Yue, Aditya Nandy, Heather J Kulik
Journal of Biomechanical Engineering
|
August 25, 2015
Effect of Hydration on Healthy Intervertebral Disk Mechanical Stiffness
Semih E Bezci, Aditya Nandy, Grace D O'Connell
The Journal of Physical Chemistry Letters
|
June 20, 2023
Identifying Underexplored and Untapped Regions in the Chemical Space of Transition Metal Complexes
Aditya Nandy, Michael G Taylor, Heather J Kulik
Journal of Chemical Theory and Computation
|
June 16, 2020
Data-Driven Approaches Can Overcome the Cost-Accuracy Trade-Off in Multireference Diagnostics
Chenru Duan, Fang Liu, Aditya Nandy, et al.
The Journal of Physical Chemistry Letters
|
May 11, 2021
Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery
Chenru Duan, Fang Liu, Aditya Nandy, et al.
JACS Au
|
June 1, 2022
New Strategies for Direct Methane-to-Methanol Conversion from Active Learning Exploration of 16 Million Catalysts
Aditya Nandy, Chenru Duan, Conrad Goffinet, et al.
The Journal of Physical Chemistry Letters
|
May 17, 2022
Ligand Additivity and Divergent Trends in Two Types of Delocalization Errors from Approximate Density Functional Theory
Yael Cytter, Aditya Nandy, Akash Bajaj, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 6, 2023
Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models
Yael Cytter, Aditya Nandy, Chenru Duan, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 42) with videos related to
Sort By:
Page
of 5
Journal of the American Chemical Society
|
October 13, 2021
Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal-Organic Frameworks
Aditya Nandy, Chenru Duan, Heather J Kulik
Annual Review of Chemical and Biomolecular Engineering
|
March 23, 2022
Machine Learning for the Discovery, Design, and Engineering of Materials
Chenru Duan, Aditya Nandy, Heather J Kulik
The Journal of Physical Chemistry. B
|
December 1, 2023
Discovering Molecular Coordination Environment Trends for Selective Ion Binding to Molecular Complexes Using Machine Learning
Shuwen Yue, Aditya Nandy, Heather J Kulik
Journal of Biomechanical Engineering
|
August 25, 2015
Effect of Hydration on Healthy Intervertebral Disk Mechanical Stiffness
Semih E Bezci, Aditya Nandy, Grace D O'Connell
The Journal of Physical Chemistry Letters
|
June 20, 2023
Identifying Underexplored and Untapped Regions in the Chemical Space of Transition Metal Complexes
Aditya Nandy, Michael G Taylor, Heather J Kulik
Journal of Chemical Theory and Computation
|
June 16, 2020
Data-Driven Approaches Can Overcome the Cost-Accuracy Trade-Off in Multireference Diagnostics
Chenru Duan, Fang Liu, Aditya Nandy, et al.
The Journal of Physical Chemistry Letters
|
May 11, 2021
Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery
Chenru Duan, Fang Liu, Aditya Nandy, et al.
JACS Au
|
June 1, 2022
New Strategies for Direct Methane-to-Methanol Conversion from Active Learning Exploration of 16 Million Catalysts
Aditya Nandy, Chenru Duan, Conrad Goffinet, et al.
The Journal of Physical Chemistry Letters
|
May 17, 2022
Ligand Additivity and Divergent Trends in Two Types of Delocalization Errors from Approximate Density Functional Theory
Yael Cytter, Aditya Nandy, Akash Bajaj, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 6, 2023
Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models
Yael Cytter, Aditya Nandy, Chenru Duan, et al.
Page
of 5