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cond-mat.str-el2026★ 1 cited
Realistic Simulation of Valence-band Photoemission Spectra by using First-principles Calculations on the Basis of FLAPW Method
Noriaki Hamada, Satoshi Nakamura, Kenta Takahashi +2
In order to reproduce experimental photoemission spectroscopy (PES) data by using band structure calculations with linearized augmented-plane-wave method, we developed a new method…
cs.AI2026
MSP-LLM: A Unified Large Language Model Framework for Complete Material Synthesis Planning
Heewoong Noh, Gyoung S. Na, Namkyeong Lee +1
Material synthesis planning (MSP) remains a fundamental and underexplored bottleneck in AI-driven materials discovery, as it requires not only identifying suitable precursor materi…