[Presentation of Japanese Materials] Supporting high-speed and high-precision prediction of physical properties of polymers and resins.
A GPU-assisted high-speed molecular dynamics engine that supports the rapid and high-precision prediction of physical property values of polymers and resins.
We would like to introduce Schrödinger's software that supports the prediction of physical properties of polymers and resins. 【Product Features】 ■ Accelerates MD calculations with high-efficiency GPU code Tens of thousands of atoms x hundreds of nanoseconds/day = lGPU ■ Unique high-precision force field parameter OPLS4 ■ Diverse polymer structure builder including cross-linked resins ■ Physical property prediction and analysis tools *For more details, please feel free to contact us.
basic information
The GPU-accelerated molecular dynamics calculation engine Desmond implements numerous acceleration algorithms, achieving microsecond-order calculations within a week. The high-precision parameter OPLS4, developed through proprietary research and development, accommodates various molecular structures by developing a vast array of force field parameters from millions of compounds. 【Diverse Polymer Structure Builder Including Crosslinked Resins】 Homopolymers, block copolymers, random copolymers, dendrimers Creation of amorphous structures, interactive crosslinked structure creation features Semicrystalline polymer structures, mixtures of multiple polymers and low molecules Interface structures between dissimilar materials, etc. 【Physical Property Prediction and Analysis Tools】 Density / cohesive energy density / heat of vaporization / specific heat / solubility parameters Glass transition temperature / linear expansion coefficient Stress-strain curves / yield points / elastic constant tensors / Young's modulus / Poisson's ratio Diffusion coefficients of low molecules in polymers Surface tension / interaction energy between dissimilar materials Infiltration rate of low molecules into polymers (water absorption rate in the case of water) SAXS diffraction patterns / structure factors / radial distribution functions Visualization and analysis of polymer electrolyte-ion interactions Dielectric constant / refractive index / Abbe number
Price information
For more details, please feel free to contact us.
Delivery Time
Applications/Examples of results
For more details, please refer to the PDF document or feel free to contact us.
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June 4 (Tuesday) to June 7 (Friday) - Free Web Seminar: Introduction of case studies on simulation software for materials science and the use of materials informatics.
Schrödinger, Inc. will hold a materials science web seminar titled 'Schrodinger Materials Science Seminar Japan 2024' from June 4 (Tuesday) to June 7 (Friday). In recent years, computational chemistry has established itself as an essential foundational technology in the development of various materials, ranging from semiconductors and electronic components to everyday products. Since its founding in 1990, Schrödinger has continuously worked on enhancing software and informatics for molecular design, providing practical solutions for the efficiency of various material developments. We will be hosting a seminar to introduce case studies utilizing these software tools. The content will be satisfying for both those with experience in simulations and machine learning, as well as those who are just starting out. We welcome participation in any sessions of interest, so please feel free to join us.
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November 30 (Thursday) to December 1 (Friday) 32nd Polymer Materials Forum Poster Presentation and Exhibition
Schrödinger, Inc. will be presenting a poster and exhibiting at the 32nd Polymer Materials Forum from November 30 (Thursday) to December 1 (Friday). [Poster Presentation] Date and Time: November 30 (Thursday) at 11:50 Title: "Characterization of Photoresist Materials through Molecular Simulation" We hope you will stop by.
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November 15 (Tuesday) to 16 (Wednesday) 31st Polymer Materials Forum Poster Presentation and Exhibition
Schrödinger Inc. will be presenting a poster and exhibiting at the 31st Polymer Materials Forum from November 15 (Tuesday) to November 16 (Wednesday). [Poster Presentation] Date: November 15 (Wednesday) at 14:00 Title: "Calculation of Frequency Dependence of Dielectric Constant and Dielectric Loss Tangent of Glassy Polymers by Classical Molecular Dynamics Simulation" We hope to see you there!
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We will be exhibiting at the "Spring Academic Conference of the Applied Physics Society" from March 22 (Tuesday) to March 26 (Saturday).
Schrödinger, Inc. will be exhibiting at the "Spring Academic Conference of the Japan Society of Applied Physics" held at Aoyama Gakuin University, Sagamihara Campus (Sagamihara City, Kanagawa Prefecture) from March 22 (Tuesday) to March 26 (Saturday), 2022. At our exhibition booth, we will provide explanations of our products and services, as well as consultations regarding any challenges you may have. We look forward to welcoming researchers interested in atomic-level simulations related to semiconductor manufacturing and resin encapsulation using molecular simulation software. Please feel free to stop by!
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We will be exhibiting at "Kansai Plastic Japan" from May 11 (Wednesday) to May 13 (Friday).
Schrödinger, Inc. will be exhibiting at the 10th [Kansai] Plastic Japan (May 11-13, at Intex Osaka). At our booth, you can experience our unique materials development support software based on LiveDesign. Additionally, in a specialized technical seminar, Takashi Ishizaki, Strategic Deployment Manager, will give a lecture titled "Data Accumulation Platform for Utilizing Open Source in Materials Informatics" on May 11 (Wednesday) at 10:00 AM.
