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Transferable equivariant graph neural networks for the Hamiltonians of...

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Accelerating GW calculations through machine-learned dielectric matrices

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A multibody kinematic system approach for the design of shape-morphing...

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Coalescence of Al0.3CoCrFeNi polycrystalline high-entropy alloy in...

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Atomistic insights into adhesion characteristics of tungsten on titanium...

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Exciton fine structure in twisted transition metal dichalcogenide...

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Symmetric carbon tetramers forming spin qubits in hexagonal boron nitride

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Analysis and improvement of human-induced vibration comfort of articulated...

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Development of scalable and generalizable machine learned force field for...

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Ab-initio simulations of coherent phonon-induced pumping of carriers in...

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Exploring high thermal conductivity polymers via interpretable machine...

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High-throughput deformation potential and electrical transport calculations

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Primitive to conventional geometry projection for efficient phonon transport...

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Thermal-structural hybrid Lagrangian solver and numerical simulation-based...

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Machine learning assisted derivation of minimal low-energy models for...

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Quantum lattice dynamics and their importance in ternary superhydride clathrates

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Adding charge to neural network potentials

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Material-agnostic machine learning approach enables high relative density in...

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A machine learning method to quantitatively predict alpha phase morphology in...

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Thermodynamic model of the oxidation of Ln-doped UO2

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