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The Journal of Physical Chemistry Letters
|
December 26, 2023
Computational Design of Low Melting Eutectics of Molten Salts: A Combined Machine Learning and Thermodynamic Modeling Approach
Ashwin Ravichandran, Shreyas Honrao, Stephen Xie, et al.
The Journal of Physical Chemistry. A
|
January 24, 2022
Ligand Optimization of Exchange Interaction in Co(II) Dimer Single Molecule Magnet by Machine Learning
Sijin Ren, Eric Fonseca, William Perry, et al.
Journal of Chemical Theory and Computation
|
April 1, 2025
Discovery of Spin-Crossover Materials with Equivariant Graph Neural Networks and Relevance-Based Classification
Angel Albavera-Mata, Pawan Prakash, Jason B Gibson, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2024
Incorporating solvent effects in DFT: insights from cation exchange in faujasites
An T Ta, Ayoub Daouli, R Seaton Ullberg, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry Letters
|
December 26, 2023
Computational Design of Low Melting Eutectics of Molten Salts: A Combined Machine Learning and Thermodynamic Modeling Approach
Ashwin Ravichandran, Shreyas Honrao, Stephen Xie, et al.
The Journal of Physical Chemistry. A
|
January 24, 2022
Ligand Optimization of Exchange Interaction in Co(II) Dimer Single Molecule Magnet by Machine Learning
Sijin Ren, Eric Fonseca, William Perry, et al.
Journal of Chemical Theory and Computation
|
April 1, 2025
Discovery of Spin-Crossover Materials with Equivariant Graph Neural Networks and Relevance-Based Classification
Angel Albavera-Mata, Pawan Prakash, Jason B Gibson, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2024
Incorporating solvent effects in DFT: insights from cation exchange in faujasites
An T Ta, Ayoub Daouli, R Seaton Ullberg, et al.
Page
of 1