Material Design
Realize rational researches in various fields by predicting material properties in advance!
Molecular design techniques, design of experiments, and artificial intelligence are used to predict the properties of materials.
- Summary
Interest in renewable energy is growing due to environmental and economic risks to existing fossil fuels. By predicting in advance the properties of materials responsible for generating, transporting, and storing energy, we conduct more rational research and development on materials in the energy sector.
- Predictable Properties
Thermal/structural stability, electrochemical property, absorption/desorption on surface diffusion velocity, adsorbing capacity of gas
- Applicable Industry
Lithium secondary battery, storage battery, fuel cell, solar cell, automobile, environment, petro-chemistry
- Summary
We predict the important properties of various dyes and pigments that are being applied to diverse industries with molecular modeling including display industry, high-tech electronic device, solar cell as well as existing dye/pigment industry and try to optimize them with design of experiment (DOE) and artificial intelligence.
- Predictable Properties
Molecular structure, absorption wavelength, absorption strength, emitting wavelength, crystallized structure of dye/pigment, composition optimization of mixtures
- Applicable Industry
OLED, special paint, optical recording device, solar cell, optical electronic device
- Summary
We recognize the importance of the development of nano materials that will lead future material technology as believed. Therefore, we establish a system that interprets and predict the key properties of such materials by using molecular modeling technique.
- Predictable Properties
Molecular structure, electronic structure, band gap energy, electrostatic moment, magnetization
- Applicable Industry
Semiconductor device, optical recording device, solar cell, optical electronic device, sensor
- Summary
We understand the important properties of various electronic materials applied to electronic industry such as semiconductor at molecular level, design new electronic materials using molecular modeling technique, build a virtual library with collected data of material structures, and contribute it to the development of electronic materials required in the related business and industry.
- Predictable Properties
Molecular structure, electronic structure, band-gap energy, absorption wavelength, absorption strength, emitting wavelength, UV/VIS spectrum, dielectric constant, mechanical property
- Applicable Industry
Semiconductor device, solar cell, optical electronic device, flat display, mobile
- Summary
We understand several properties (mixing property, phase equilibrium, mechanical property, and structure) related to polymer and surfactant by using modeling technique and design polymer of advanced properties on computer. And with this, we proceed with R&D for a new material with excellent thermodynamic, mechanical, electronic properties.
- Predictable Properties
Dispersibility, mixing level, mechanical behavior/property, diffusion velocity, cohesion, absorption/desorption on surface, phase equilibrium, property of matter according to artificial intelligence
- Applicable Industry
Semiconductor and LCD, Organic thin film, cosmetics, tire, ink, drug delivery system
- Summary
Understanding the functions of catalyst is essential to find out dominant reaction in chemical reaction and process. We carry out theoretical studies on porous materials frequently used as catalyst to confirm reaction site of catalyst and design a new catalyst structure.
- Predictable Properties
Investigation of the process of formation, decomposition, destruction of a material, reaction velocity and absorption capacity, activation energy, gas separation property
- Applicable Industry
zeolite, metal plating, semiconductor(CVD), fuel cell, gas sensor, petro-chemistry (separation/refinement)