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The Journal of Chemical Physics
|
November 6, 2023
Gaussian approximation potentials: Theory, software implementation and application examples
Sascha Klawohn, James P Darby, James R Kermode, et al.
Journal of the American Chemical Society
|
January 31, 2023
Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal-Organic Framework Materials
Yizhi Xu, Joseph M Marrett, Hatem M Titi, et al.
Physical Review Letters
|
July 28, 2023
Tensor-Reduced Atomic Density Representations
James P Darby, Dávid P Kovács, Ilyes Batatia, et al.
Angewandte Chemie (International Ed. in English)
|
January 18, 2025
Easily Water-Synthesisable Iron-Chloranilate Frameworks as High Energy and High-Power Cathodes for Sustainable Alkali-Ion Batteries
Víctor Durán-Egido, James P Darby, Matthew J Cliffe, et al.
The Journal of Chemical Physics
|
October 23, 2023
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion
William C Witt, Cas van der Oord, Elena Gelžinytė, 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.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
November 6, 2023
Gaussian approximation potentials: Theory, software implementation and application examples
Sascha Klawohn, James P Darby, James R Kermode, et al.
Journal of the American Chemical Society
|
January 31, 2023
Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal-Organic Framework Materials
Yizhi Xu, Joseph M Marrett, Hatem M Titi, et al.
Physical Review Letters
|
July 28, 2023
Tensor-Reduced Atomic Density Representations
James P Darby, Dávid P Kovács, Ilyes Batatia, et al.
Angewandte Chemie (International Ed. in English)
|
January 18, 2025
Easily Water-Synthesisable Iron-Chloranilate Frameworks as High Energy and High-Power Cathodes for Sustainable Alkali-Ion Batteries
Víctor Durán-Egido, James P Darby, Matthew J Cliffe, et al.
The Journal of Chemical Physics
|
October 23, 2023
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion
William C Witt, Cas van der Oord, Elena Gelžinytė, 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