2 papers
cond-mat.mtrl-sci2026
A Differentiable DFT-Based Framework for Inverse Materials Design
Kohei Ishii, Hisazumi Akai, Tetsuya Fukushima +2
Discovering solid-state materials with target properties remains a central challenge in computational materials science. Existing approaches -- high-throughput screening, surrogate…
cond-mat.mtrl-sci2024
Inverse magneto-conductance design by automatic differentiation
Yuta Hirasaki, Koji Inui, Eiji Saitoh
Magneto-conductance in thin wires often exhibits complicated patterns due to the quantum interference of conduction electrons. These patterns reflect microscopic structures in the…