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The Journal of Chemical Physics
|
June 10, 2016
Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals
Thinh H Pham, Rampi Ramprasad, Huy-Viet Nguyen
Journal of Chemical Information and Modeling
|
September 24, 2019
Critical Assessment of the Hildebrand and Hansen Solubility Parameters for Polymers
Shruti Venkatram, Chiho Kim, Anand Chandrasekaran, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 6, 2023
Polymer Informatics at Scale with Multitask Graph Neural Networks
Rishi Gurnani, Christopher Kuenneth, Aubrey Toland, et al.
Macromolecular Rapid Communications
|
October 13, 2025
Benchmarking Large Language Models for Polymer Property Predictions
Sonakshi Gupta, Akhlak Mahmood, Shivank Shukla, et al.
The Journal of Chemical Physics
|
October 3, 2015
Unraveling the luminescence signatures of chemical defects in polyethylene
Lihua Chen, Huan Doan Tran, Chenchen Wang, et al.
Scientific Data
|
May 10, 2017
A hybrid organic-inorganic perovskite dataset
Chiho Kim, Tran Doan Huan, Sridevi Krishnan, et al.
ACS Applied Materials & Interfaces
|
April 17, 2019
Multifidelity Information Fusion with Machine Learning: A Case Study of Dopant Formation Energies in Hafnia
Rohit Batra, Ghanshyam Pilania, Blas P Uberuaga, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Why Pt Survives but Pd Suffers From SOx Poisoning?
Hom N Sharma, Vinit Sharma, Ashish B Mhadeshwar, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
November 17, 2025
Machine Learning for Green Solvents: Assessment, Selection and Substitution
Rohan Datta, Janhavi Nistane, Abhishek Sose, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2022
Solvent selection for polymers enabled by generalized chemical fingerprinting and machine learning
Joseph Kern, Shruti Venkatram, Manali Banerjee, et al.
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of 8
Search research articles
Search
Showing results (11-20 of 75) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
June 10, 2016
Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals
Thinh H Pham, Rampi Ramprasad, Huy-Viet Nguyen
Journal of Chemical Information and Modeling
|
September 24, 2019
Critical Assessment of the Hildebrand and Hansen Solubility Parameters for Polymers
Shruti Venkatram, Chiho Kim, Anand Chandrasekaran, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 6, 2023
Polymer Informatics at Scale with Multitask Graph Neural Networks
Rishi Gurnani, Christopher Kuenneth, Aubrey Toland, et al.
Macromolecular Rapid Communications
|
October 13, 2025
Benchmarking Large Language Models for Polymer Property Predictions
Sonakshi Gupta, Akhlak Mahmood, Shivank Shukla, et al.
The Journal of Chemical Physics
|
October 3, 2015
Unraveling the luminescence signatures of chemical defects in polyethylene
Lihua Chen, Huan Doan Tran, Chenchen Wang, et al.
Scientific Data
|
May 10, 2017
A hybrid organic-inorganic perovskite dataset
Chiho Kim, Tran Doan Huan, Sridevi Krishnan, et al.
ACS Applied Materials & Interfaces
|
April 17, 2019
Multifidelity Information Fusion with Machine Learning: A Case Study of Dopant Formation Energies in Hafnia
Rohit Batra, Ghanshyam Pilania, Blas P Uberuaga, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Why Pt Survives but Pd Suffers From SOx Poisoning?
Hom N Sharma, Vinit Sharma, Ashish B Mhadeshwar, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
November 17, 2025
Machine Learning for Green Solvents: Assessment, Selection and Substitution
Rohan Datta, Janhavi Nistane, Abhishek Sose, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2022
Solvent selection for polymers enabled by generalized chemical fingerprinting and machine learning
Joseph Kern, Shruti Venkatram, Manali Banerjee, et al.
Page
of 8