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Journal of Chemical Theory and Computation
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March 2, 2022
CIDER: An Expressive, Nonlocal Feature Set for Machine Learning Density Functionals with Exact Constraints
Kyle Bystrom, Boris Kozinsky
Journal of Chemical Theory and Computation
|
January 8, 2026
Size-Consistent Adiabatic Connection Functionals via Orbital-Based Matrix Interpolation
Kyle Bystrom, Timothy C Berkelbach
Journal of Chemical Theory and Computation
|
August 23, 2024
Training Machine-Learned Density Functionals on Band Gaps
Kyle Bystrom, Stefano Falletta, Boris Kozinsky
The Journal of Physical Chemistry Letters
|
July 18, 2024
Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials
Zachary A H Goodwin, Malia B Wenny, Julia H Yang, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
March 2, 2022
CIDER: An Expressive, Nonlocal Feature Set for Machine Learning Density Functionals with Exact Constraints
Kyle Bystrom, Boris Kozinsky
Journal of Chemical Theory and Computation
|
January 8, 2026
Size-Consistent Adiabatic Connection Functionals via Orbital-Based Matrix Interpolation
Kyle Bystrom, Timothy C Berkelbach
Journal of Chemical Theory and Computation
|
August 23, 2024
Training Machine-Learned Density Functionals on Band Gaps
Kyle Bystrom, Stefano Falletta, Boris Kozinsky
The Journal of Physical Chemistry Letters
|
July 18, 2024
Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials
Zachary A H Goodwin, Malia B Wenny, Julia H Yang, et al.
Page
of 1