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1 to 10 of 104 Results
PolycrystalDiffusion-main.zip
Jul 16, 2026 - Data for: Microstructural Insights into Fast Ion Transport in Solid Electrolytes via Multiscale Modeling
ZIP Archive - 58.8 KB - MD5: f2bf9f29747c9cd2b26846fad583f5b6
Codes.zip
Jul 6, 2026 - Data for: Microstructural Insights into Fast Ion Transport in Solid Electrolytes via Multiscale Modeling
ZIP Archive - 2.9 GB - MD5: cb7385c90dab9ea39c083854e4900927
Figures.zip
Jul 6, 2026 - Data for: Microstructural Insights into Fast Ion Transport in Solid Electrolytes via Multiscale Modeling
ZIP Archive - 167.5 MB - MD5: 77b90a0f36bafc4c5465084e1b7c7135
DaRUS.zip
Jun 17, 2026 - Data for: Machine learning interatomic potentials for ordered mesoporous yttrium silicates
ZIP Archive - 226.0 MB - MD5: 8933a1fc76d699c5e2f9ead665ea8ea4
data.zip
May 21, 2026 - Data for: Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6PS5Cl using machine-learning interatomic potentials
ZIP Archive - 31.6 MB - MD5: d5c85bb9407e9222441f1b4b52621a01
0.TBLITE.zip
Feb 24, 2026 - Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der Waals interactions
ZIP Archive - 5.4 MB - MD5: e47de33e072b0e00ef67bb153ef9e829
GFN2-xTB results. Further details are found in `README.md`.
1.MOLPRO.zip
Feb 24, 2026 - Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der Waals interactions
ZIP Archive - 47.5 MB - MD5: 45eb761439e0d43d9aefb7fa067f7fda
MOLPRO results. Further details are found in `README.md`.
2.MTP.zip
Feb 24, 2026 - Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der Waals interactions
ZIP Archive - 4.3 MB - MD5: 0857ab60a024b61f4d02f2309769204a
Δ-learned MTP potentials. Further details are found in `README.md`.
3.COF.zip
Feb 24, 2026 - Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der Waals interactions
ZIP Archive - 30.9 KB - MD5: a1c427c80d43d10f63edb2e1d998a287
COF structures. Further details are found in `README.md`.
README.md
Feb 24, 2026 - Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der Waals interactions
Markdown Text - 2.2 KB - MD5: fe2e356315221034e4893182d3d12ec4
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