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The Journal of Chemical Physics
|
December 6, 2023
The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory
Ryan Pederson, Kieron Burke
The Journal of Physical Chemistry. A
|
July 25, 2019
Multireference Ab Initio Studies of Magnetic Properties of Terbium-Based Single-Molecule Magnets
Ryan Pederson, Aleksander L Wysocki, Nicholas Mayhall, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2022
How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems?
Bhupalee Kalita, Ryan Pederson, Jielun Chen, et al.
Journal of Chemical Information and Modeling
|
February 5, 2024
COATI: Multimodal Contrastive Pretraining for Representing and Traversing Chemical Space
Benjamin Kaufman, Edward C Williams, Carl Underkoffler, et al.
Physical Review Letters
|
February 5, 2021
Kohn-Sham Equations as Regularizer: Building Prior Knowledge into Machine-Learned Physics
Li Li, Stephan Hoyer, Ryan Pederson, et al.
Physical Review Letters
|
January 15, 2021
Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities
Ryan J McCarty, Dennis Perchak, Ryan Pederson, et al.
Journal of Chemical Theory and Computation
|
December 12, 2022
Large Scale Quantum Chemistry with Tensor Processing Units
Ryan Pederson, John Kozlowski, Ruyi Song, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 6, 2023
The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory
Ryan Pederson, Kieron Burke
The Journal of Physical Chemistry. A
|
July 25, 2019
Multireference Ab Initio Studies of Magnetic Properties of Terbium-Based Single-Molecule Magnets
Ryan Pederson, Aleksander L Wysocki, Nicholas Mayhall, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2022
How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems?
Bhupalee Kalita, Ryan Pederson, Jielun Chen, et al.
Journal of Chemical Information and Modeling
|
February 5, 2024
COATI: Multimodal Contrastive Pretraining for Representing and Traversing Chemical Space
Benjamin Kaufman, Edward C Williams, Carl Underkoffler, et al.
Physical Review Letters
|
February 5, 2021
Kohn-Sham Equations as Regularizer: Building Prior Knowledge into Machine-Learned Physics
Li Li, Stephan Hoyer, Ryan Pederson, et al.
Physical Review Letters
|
January 15, 2021
Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities
Ryan J McCarty, Dennis Perchak, Ryan Pederson, et al.
Journal of Chemical Theory and Computation
|
December 12, 2022
Large Scale Quantum Chemistry with Tensor Processing Units
Ryan Pederson, John Kozlowski, Ruyi Song, et al.
Page
of 1