3 papers
cond-mat.mtrl-sci2024
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…
cond-mat.supr-con2024
A Straightforward Gradient-Based Approach for High-Tc Superconductor Design: Leveraging Domain Knowledge via Adaptive Constraints
Akihiro Fujii, Anh Khoa Augustin Lu, Koji Shimizu +1
Materials design aims to discover novel compounds with desired properties. However, prevailing strategies face critical trade-offs. Conventional element-substitution approaches rea…
cond-mat.mtrl-sci2023
Enhancing Inverse Problem Solutions with Accurate Surrogate Simulators and Promising Candidates
Akihiro Fujii, Hideki Tsunashima, Yoshihiro Fukuhara +2
Deep-learning inverse techniques have attracted significant attention in recent years. Among them, the neural adjoint (NA) method, which employs a neural network surrogate simulato…