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Journal of Chemical Theory and Computation
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October 21, 2024
Efficient Parametrization of Transferable Atomic Cluster Expansion for Water
Eslam Ibrahim, Yury Lysogorskiy, Ralf Drautz
Journal of Chemical Theory and Computation
|
April 28, 2026
Water Phase Diagram from a General-Purpose Atomic Cluster Expansion Potential
Eslam Ibrahim, Yury Lysogorskiy, Ralf Drautz, et al.
Journal of Chemical Theory and Computation
|
June 22, 2023
Atomic Cluster Expansion for Quantum-Accurate Large-Scale Simulations of Carbon
Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, et al.
Npj Computational Materials
|
March 31, 2025
Development of an atomic cluster expansion potential for iron and its oxides
Baptiste Bienvenu, Mira Todorova, Jörg Neugebauer, et al.
Nature Computational Science
|
January 13, 2024
Crystallography companion agent for high-throughput materials discovery
Phillip M Maffettone, Lars Banko, Peng Cui, et al.
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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
|
October 21, 2024
Efficient Parametrization of Transferable Atomic Cluster Expansion for Water
Eslam Ibrahim, Yury Lysogorskiy, Ralf Drautz
Journal of Chemical Theory and Computation
|
April 28, 2026
Water Phase Diagram from a General-Purpose Atomic Cluster Expansion Potential
Eslam Ibrahim, Yury Lysogorskiy, Ralf Drautz, et al.
Journal of Chemical Theory and Computation
|
June 22, 2023
Atomic Cluster Expansion for Quantum-Accurate Large-Scale Simulations of Carbon
Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, et al.
Npj Computational Materials
|
March 31, 2025
Development of an atomic cluster expansion potential for iron and its oxides
Baptiste Bienvenu, Mira Todorova, Jörg Neugebauer, et al.
Nature Computational Science
|
January 13, 2024
Crystallography companion agent for high-throughput materials discovery
Phillip M Maffettone, Lars Banko, Peng Cui, et al.
Page
of 1