1 citations · 1 across the 10 of their papers we have counts for
17 papers
Scale-Dependent Input Representation and Confidence Estimation for LLMs in Materials Property Prediction
Shuichiro Ozawa, Izumi Takahara, Teruyasu Mizoguchi
Large language models (LLMs) are increasingly applied to materials science. However, the relationship between prediction accuracy, input representation, and model scale remains unc…
Inverse Materials Design via Joint Generation of Crystal Structures and Local Electronic Descriptors
Ibuki Okuda, Izumi Takahara, Teruyasu Mizoguchi
Inverse design of inorganic crystals, in which structures are generated to satisfy a target property while preserving diversity and physical plausibility, remains more demanding th…
Ultrafast Sliding Ferroelectric Switching in Bilayer Hexagonal Boron Nitride Revealed by Deep Learning Molecular Dynamics
Yinan Wang, Poyen Chen, Teruyasu Mizoguchi
Sliding ferroelectricity in bilayer hexagonal boron nitride (h-BN) offers compelling prospects for next-generation non-volatile memory, yet the atomistic dynamics of electric-field…
Decoding Dopant-Induced Electronic Modulation in Graphene via Region-Resolved Machine Learning of XANES
Yinan Wang, Arpita Varadwaj, Teruyasu Mizoguchi +1
Revealing how heteroatom doping alters the local electronic structure of graphene is crucial for understanding and controlling its functional properties. In this study, we combine…
Long-range interaction effects on the phase transition, mechanical effect, and electric field response of BaTiO3 by machine learning potentials
Po-Yen Chen, Teruyasu Mizoguchi
Bulk materials are governed by both short-range and long-range interactions, both of which are naturally captured in conventional density functional theory (DFT) calculations throu…
Twist-Angle Engineering of Moiré Potentials for High-Performance Ionics in Bilayer Graphene
Gen Fukuzawa, Yebin Lee, Teruyasu Mizoguchi
Controlling ion transport is a fundamental challenge for advanced energy storage. Bilayer graphene offers a unique platform for modulating ion diffusion via twist-angle-dependent m…