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Journal of Chemical Theory and Computation
|
November 1, 2022
Machine Learning Diffusion Monte Carlo Energies
Kevin Ryczko, Jaron T Krogel, Isaac Tamblyn
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 17, 2024
Efficient determination of Born-effective charges, LO-TO splitting, and Raman tensors of solids with a real-space atom-centered deep learning approach
Olivier Malenfant-Thuot, Kevin Ryczko, Isaac Tamblyn, et al.
Journal of Chemical Theory and Computation
|
January 7, 2022
Toward Orbital-Free Density Functional Theory with Small Data Sets and Deep Learning
Kevin Ryczko, Sebastian J Wetzel, Roger G Melko, et al.
Chemical Science
|
June 4, 2025
Guided multi-objective generative AI to enhance structure-based drug design
Amit Kadan, Kevin Ryczko, Erika Lloyd, et al.
Chemical Science
|
April 25, 2019
Extensive deep neural networks for transferring small scale learning to large scale systems
Kyle Mills, Kevin Ryczko, Iryna Luchak, et al.
Journal of Chemical Theory and Computation
|
December 7, 2023
Accelerated Organic Crystal Structure Prediction with Genetic Algorithms and Machine Learning
Amit Kadan, Kevin Ryczko, Andrew Wildman, et al.
The Journal of Chemical Physics
|
August 3, 2021
Neural evolution structure generation: High entropy alloys
Conrard Giresse Tetsassi Feugmo, Kevin Ryczko, Abu Anand, et al.
Biorxiv : the Preprint Server for Biology
|
June 22, 2026
MAHLER: Integrating Metadynamics and Inverse Folding to Predict Antibody-Antigen Kinetics
Da Teng, Mary Pitman, Punit K Jha, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 1, 2022
Machine Learning Diffusion Monte Carlo Energies
Kevin Ryczko, Jaron T Krogel, Isaac Tamblyn
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 17, 2024
Efficient determination of Born-effective charges, LO-TO splitting, and Raman tensors of solids with a real-space atom-centered deep learning approach
Olivier Malenfant-Thuot, Kevin Ryczko, Isaac Tamblyn, et al.
Journal of Chemical Theory and Computation
|
January 7, 2022
Toward Orbital-Free Density Functional Theory with Small Data Sets and Deep Learning
Kevin Ryczko, Sebastian J Wetzel, Roger G Melko, et al.
Chemical Science
|
June 4, 2025
Guided multi-objective generative AI to enhance structure-based drug design
Amit Kadan, Kevin Ryczko, Erika Lloyd, et al.
Chemical Science
|
April 25, 2019
Extensive deep neural networks for transferring small scale learning to large scale systems
Kyle Mills, Kevin Ryczko, Iryna Luchak, et al.
Journal of Chemical Theory and Computation
|
December 7, 2023
Accelerated Organic Crystal Structure Prediction with Genetic Algorithms and Machine Learning
Amit Kadan, Kevin Ryczko, Andrew Wildman, et al.
The Journal of Chemical Physics
|
August 3, 2021
Neural evolution structure generation: High entropy alloys
Conrard Giresse Tetsassi Feugmo, Kevin Ryczko, Abu Anand, et al.
Biorxiv : the Preprint Server for Biology
|
June 22, 2026
MAHLER: Integrating Metadynamics and Inverse Folding to Predict Antibody-Antigen Kinetics
Da Teng, Mary Pitman, Punit K Jha, et al.
Page
of 1