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Journal of Chemical Theory and Computation
|
June 5, 2025
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms
Samuel P Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău, et al.
The Journal of Physical Chemistry. B
|
September 8, 2020
Sum-Frequency Signals in 2D-Terahertz-Terahertz-Raman Spectroscopy
Griffin Mead, Haw-Wei Lin, Ioan-Bogdan Magdău, et al.
Journal of Chemical Theory and Computation
|
March 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity
Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett, et al.
Journal of the American Chemical Society
|
May 19, 2025
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
Dávid Péter Kovács, J Harry Moore, Nicholas J Browning, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
June 5, 2025
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms
Samuel P Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău, et al.
The Journal of Physical Chemistry. B
|
September 8, 2020
Sum-Frequency Signals in 2D-Terahertz-Terahertz-Raman Spectroscopy
Griffin Mead, Haw-Wei Lin, Ioan-Bogdan Magdău, et al.
Journal of Chemical Theory and Computation
|
March 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity
Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett, et al.
Journal of the American Chemical Society
|
May 19, 2025
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
Dávid Péter Kovács, J Harry Moore, Nicholas J Browning, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
Page
of 1