8 citations · 18 across the 14 of their papers we have counts for
5 papers · 1 filter
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…
EqGINO: Equivariant Geometry-Informed Fourier Neural Operators for 3D PDEs
Sungwon Kim, Juho Song, Seungmin Shin +3
Deep learning surrogates for 3D Partial Differential Equations (PDEs) often fail to generalize across geometric transformations because they depend heavily on specific coordinate s…
Machine Collective Intelligence for Explainable Scientific Discovery
Gyoung S. Na, Chanyoung Park
Deriving governing equations from empirical observations is a longstanding challenge in science. Although artificial intelligence (AI) has demonstrated substantial capabilities in…
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…
Electron-Informed Coarse-Graining Molecular Representation Learning for Real-World Molecular Physics
Gyoung S. Na, Chanyoung Park
Various representation learning methods for molecular structures have been devised to accelerate data-driven chemistry. However, the representation capabilities of existing methods…