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cond-mat.mtrl-sci2025
Accelerating discovery of infrared nonlinear optical materials with large shift current via high-throughput screening
Aiqin Yang, Dian Jin, Mingkang Liu +4
Discovering nonlinear optical (NLO) materials with strong shift current response, particularly in the infrared (IR) regime, is essential for next-generation optoelectronics yet rem…
cond-mat.mtrl-sci2025★ 1 cited
ABACUS: An Electronic Structure Analysis Package for the AI Era
Weiqing Zhou, Daye Zheng, Qianrui Liu +55
ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It…