1 citations · 1 across the 4 of their papers we have counts for
5 papers
Dynamic Kinetic Evaluation Favors Compositionally Diverse Multicomponent Alloy Nanoparticles for Hydrogen Evolution
Koki Otsuka, Anh Khoa Augustin Lu, Koji Shimizu +1
High-entropy alloy (HEA) nanoparticles offer chemically diverse catalytic sites, but identifying optimal compositions across their large design space remains challenging. We develo…
SevenNet-Polar for MultiTask Prediction of Energy, Forces, Stress, and Born Effective Charges: Development and Application to ZrO, LiPO, and Perovskites
Anh Khoa Augustin Lu, Shungo Arai, Yutack Park +3
Accurate prediction of the Born effective charge (BEC) tensor is crucial for modeling materials under electric fields but remains computationally expensive. To bridge this gap, we…
Adaptable Method for Crystal Design across Diverse Constraints and Objectives with Pretrained Property Predictors
Akihiro Fujii, Yoshitaka Ushiku, Koji Shimizu +2
Advanced crystal design can accelerate materials discovery across applications from photovoltaics to spintronics. Practical design must satisfy multiple properties and physical con…
Machine-learning potential for phonon transport in AlN with defects in multiple charge states
Ying Dou, Koji Shimizu, Jesús Carrete +2
Understanding phonon transport properties in defect-laden AlN is important for their device applications. Here, we construct a machine-learning potential to describe phonon transpo…
Enhanced ionic conductivity through crystallization of glass-LiPS by machine learning molecular dynamics simulations
Koji Shimizu, Parth Bahuguna, Shigeo Mori +2
Understanding the atomistic mechanism of ion conduction in solid electrolytes is critical for the advancement of all-solid-state batteries. Glass-ceramics, which undergo crystalliz…