AI Medical Compendium Journal:
Science and technology of advanced materials

High-throughput experiments (HTEs) have been powerful tools to obtain many materials data. However, HTEs often require expensive equipment. Although high-throughput ab-initio calculation (HTC) has the potential to make materials big data easier to co...

A sparse model for quantifying energy difference between zinc-blende and rock-salt crystal structures in octet elemental and binary materials is constructed by using the linearly independent descriptor-generation method and exhaustive search, followi...

We present our molecular dynamics (MD) study of the effect of Si on the oxidation of α-Ti(0001) surfaces. We varied the Si concentration in the first layer of the surface from 0 to 25 at.% and the oxygen coverage () on the surface was varied up to 1...

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials...

The use of nanomaterials allows the design of ultrasensitive biosensors with advantages in the detection of organic molecules. Catechol and catechin are molecules that occur naturally in fruits, and their presence in products like dyes and wines affe...