Material Design

Realize rational researches in various fields by predicting material characteristics in advance!

Molecular design techniques, design of experiments, and artificial intelligence are used to predict the characteristics of materials.

Energy Materials

Summary

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.

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

Dye and Pigment

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

Nano Materials and 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

Electronic Materials

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

Surfactant and Polymer (Macromolecule)

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

Catalyst Porous Material

Summary

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.

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)

INSILICO R&D Center

Based on world-class technologies and expertise, we are steadily conducting research and development and seeking to improve the product quality and to enhance its competitiveness.

INSILICO R&D Center is conducting research and development for the areas of advanced-conceptual high-tech materials and application materials. We are focusing on the material design using molecular modeling and the research of micro-sized granulated-capsules, and are also actively performing the research of new materials, including water repellent using the non-fluorine- based materials, based on the organic-inorganic hybrid technology. In addition, INSILICO Co., Ltd. is conducting active research on probiotics and bacteriocins as unique antibiotic alternatives for antibiotics in line with the social issue for the regulation of antibiotic use.