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The Journal of Physical Chemistry Letters
|
August 18, 2022
A Universal Framework for Featurization of Atomistic Systems
Xiangyun Lei, Andrew J Medford
The Journal of Chemical Physics
|
August 6, 2020
Classification of biomass reactions and predictions of reaction energies through machine learning
Chaoyi Chang, Andrew J Medford
The Journal of Chemical Physics
|
December 17, 2025
Real-space Hubbard-corrected density functional theory
Sayan Bhowmik, Andrew J Medford, Phanish Suryanarayana
Chemsuschem
|
October 27, 2023
Screening and Discovery of Metal Compound Active Sites for Strong and Selective Adsorption of N<sub>2</sub> in Air
Nianhan Tian, Benjamin M Comer, Andrew J Medford
The Journal of Chemical Physics
|
June 8, 2022
Gaussian approximation of dispersion potentials for efficient featurization and machine-learning predictions of metal-organic frameworks
Sihoon Choi, David S Sholl, Andrew J Medford
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 12, 2009
In-situ encapsulation of nickel particles in electrospun carbon nanofibers and the resultant electrochemical performance
Liwen Ji, Zhan Lin, Andrew J Medford, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
September 24, 2025
Comparing Classical and Machine Learning Force Fields for Modeling Deformation of Metal-Organic Frameworks Relevant for Direct Air Capture
Logan M Brabson, Andrew J Medford, David S Sholl
Journal of Chemical Theory and Computation
|
July 8, 2024
Overcoming the Chemical Complexity Bottleneck in on-the-Fly Machine Learned Molecular Dynamics Simulations
Lucas R Timmerman, Shashikant Kumar, Phanish Suryanarayana, et al.
Industrial & Engineering Chemistry Research
|
March 25, 2024
Model-Based Design of Experiments for Temporal Analysis of Products (TAP): A Simulated Case Study in Oxidative Propane Dehydrogenation
Adam Yonge, Gabriel S Gusmão, Rebecca Fushimi, et al.
ACS Applied Materials & Interfaces
|
October 1, 2010
Ultra fast and parsimonious materials screening for polymer solar cells using differentially pumped slot-die coating
Jan Alstrup, Mikkel Jørgensen, Andrew J Medford, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry Letters
|
August 18, 2022
A Universal Framework for Featurization of Atomistic Systems
Xiangyun Lei, Andrew J Medford
The Journal of Chemical Physics
|
August 6, 2020
Classification of biomass reactions and predictions of reaction energies through machine learning
Chaoyi Chang, Andrew J Medford
The Journal of Chemical Physics
|
December 17, 2025
Real-space Hubbard-corrected density functional theory
Sayan Bhowmik, Andrew J Medford, Phanish Suryanarayana
Chemsuschem
|
October 27, 2023
Screening and Discovery of Metal Compound Active Sites for Strong and Selective Adsorption of N<sub>2</sub> in Air
Nianhan Tian, Benjamin M Comer, Andrew J Medford
The Journal of Chemical Physics
|
June 8, 2022
Gaussian approximation of dispersion potentials for efficient featurization and machine-learning predictions of metal-organic frameworks
Sihoon Choi, David S Sholl, Andrew J Medford
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 12, 2009
In-situ encapsulation of nickel particles in electrospun carbon nanofibers and the resultant electrochemical performance
Liwen Ji, Zhan Lin, Andrew J Medford, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
September 24, 2025
Comparing Classical and Machine Learning Force Fields for Modeling Deformation of Metal-Organic Frameworks Relevant for Direct Air Capture
Logan M Brabson, Andrew J Medford, David S Sholl
Journal of Chemical Theory and Computation
|
July 8, 2024
Overcoming the Chemical Complexity Bottleneck in on-the-Fly Machine Learned Molecular Dynamics Simulations
Lucas R Timmerman, Shashikant Kumar, Phanish Suryanarayana, et al.
Industrial & Engineering Chemistry Research
|
March 25, 2024
Model-Based Design of Experiments for Temporal Analysis of Products (TAP): A Simulated Case Study in Oxidative Propane Dehydrogenation
Adam Yonge, Gabriel S Gusmão, Rebecca Fushimi, et al.
ACS Applied Materials & Interfaces
|
October 1, 2010
Ultra fast and parsimonious materials screening for polymer solar cells using differentially pumped slot-die coating
Jan Alstrup, Mikkel Jørgensen, Andrew J Medford, et al.
Page
of 3