4 papers
Symbol-based entity marker highlighting for enhanced text mining in materials science with generative AI
Junhyeong Lee, Jong Min Yuk, Chan-Woo Lee
The construction of experimental datasets is essential for expanding the scope of data-driven scientific discovery. Recent advances in natural language processing (NLP) have facili…
Bayesian optimization based on element mapping to design high-capacity NASICON-type cathode in sodium-ion battery
Sanghyeon Park, Yoonsu Shim, Junpyo Hur +3
To discover novel materials with high performance, there have been many attempts to adopt Bayesian optimization (BO) to materials science, owing to its efficiency in navigating com…
Density Functional Theory Study Of Hypothetical PbTiO3-Based Oxysulfides
John A. Brehm, Hiroyuki Takenaka, Chan-Woo Lee +4
Using density functional theory (DFT) within the local density approximation (LDA), we calculate the physical and electronic properties of PbTiO3 (PTO) and a series of hypothetical…
New multiferroics based on EuxSr1-xTiO3 nanotubes and nanowires
Eugene A. Eliseev, Maya D. Glinchuk, Victoria V. Khist +4
Using Landau-Ginzburg-Devonshire theory we study the complex interplay between structural antiferrodistortive order parameter (oxygen octahedron rotations), polarization and magnet…