New renewable energy is being paid more attention due to the environment /economic risk of existing fossil fuel. We proceed with R&D for energy materials with prediction of their properties to generate, deliver and store energy.
Thermal/structural stability, electrochemical property, absorption/desorption on surface diffusion velocity, adsorbing capacity of gas
lithium secondary battery, storage battery, fuel cell, solar cell, automobile, environment, petro-chemistry
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 informatics.
Molecular structure, absorption wavelength, absorption strength, emitting wavelength, crystallized structure of dye/pigment, composition optimization of mixtures
OLED, special paint, optical recording device, solar cell, optical electronic device
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.
Molecular structure, electronic structure, band gap energy, electrostatic moment, magnetization
Semiconductor device, optical recording device, solar cell, optical electronic device, sensor
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.
Molecular structure, electronic structure, band-gap energy, absorption wavelength, absorption strength, emitting wavelength, UV/VIS spectrum, dielectric constant, mechanical property
Semiconductor device, solar cell, optical electronic device, flat display, mobile
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.
Dispersibility, mixing level, mechanical behavior/property, diffusion velocity, cohesion, absorption/desorption on surface, phase equilibrium, property of matter according to informatics
Semiconductor and LCD, Organic thin film, cosmetics, tire, ink, drug delivery system
Understating 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.
Investigation of the process of formation, decomposition, destruction of a material, reaction velocity and absorption capacity, activation energy, gas separation property
zeolite, metal plating, semiconductor(CVD), fuel cell, gas sensor, petro-chemistry (separation/refinement)