(NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
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Dec 13, 2024 - Python
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thermal-transport
Here are 5 public repositories matching this topic...
A collection of programs for determining the effect of external fields on the thermal transport through magnetic excitations (magnons)
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Feb 26, 2023 - Mathematica
An XAI framework that derives compact, interpretable analytical scaling relations for phonon-related material properties — enabling targeted materials screening with DFT-level validation.
deep-learning material-design phonopy symbolic-regression principal-component-analysis partial-least-squares-regression explainable-ai dft-calculations thermal-transport debye-model critical-regime-analysis quantum-lattice-dynamics
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Aug 27, 2026 - HTML
Legacy-compatible Python generator for initial spiral-carbon atomistic structures used in mechanical, thermal, and interfacial simulations.
python numpy molecular-dynamics thermal-transport atomistic-simulation structure-generation nanomechanics carbon-nanostructures
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Aug 13, 2026 - Python
A versioned, content-addressed map of physics: the semantic layer AI needs. Fuzzy language in, checkable identity out.
dft physics provenance knowledge-graph reproducibility materials-science computational-materials-science thermal-transport
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Aug 25, 2026 - Python
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