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Scientific simulation software(erp) - List of Manufacturers, Suppliers, Companies and Products

Scientific simulation software Product List

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[Presentation of Materials] Machine Learning and Material Property Prediction

[Presentation of Materials] Machine Learning and Material Property Prediction

Quickly transform data into knowledge based on informatics! Contributing to the field of advanced materials development.

This document introduces the machine learning and material property prediction capabilities of the 'Materials Science Suite' handled by Schrodinger. This product features a powerful and user-friendly integrated informatics environment. With simple GUI operations, it allows for the analysis of experimental and simulation data using molecular structure fingerprints, visualizing the relationship between molecular structures and physical properties, and building machine learning models to predict the physical properties of new molecular structures. [Contents] ■ Background ■ Glass Transition Temperature ■ Prediction of Polymer Properties ■ KPLS Regression Using Fingerprints ■ Further Developments *For more details, please refer to the PDF document or feel free to contact us.

  • Software (middle, driver, security, etc.)
  • simulator

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Presentation of Japanese Materials: Organic Electronics

Presentation of Japanese Materials: Organic Electronics

Identifying promising candidate substances! Useful for selecting compounds that meet the conditions for device optimization.

This document introduces the applications of Schrodinger's 'Materials Science Suite' in organic electronics and organic EL. Through insights gained from computational results and theoretical interpretations, it is possible to identify promising candidate materials, enabling efficient development of organic light-emitting diodes (OLEDs) and organic semiconductors. Additionally, it is useful for selecting compounds that meet the conditions for device optimization. Specifically, using density functional theory (DFT), it is possible to calculate molecular properties related to organic EL material development, such as: - Oxidation potential - Reduction potential - Hole reorganization (rearrangement, reconfiguration) energy - Electron reorganization energy - Triplet energy - Triplet reorganization energy - Absorption spectrum - TADF S1-Tx gap - Fluorescence The structure of thin films can be predicted by simulating the actual deposition onto a substrate using molecular dynamics (MD). Basic information continues below.

  • Other electronic parts
  • simulator
  • Organic EL

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Utilization of the Schrödinger Platform at Panasonic

Utilization of the Schrödinger Platform at Panasonic

Towards the realization of faster new material development.

"By gaining access to Schrödinger's tools and unprecedented computational power, Panasonic Industry Co., Ltd.'s approach to innovation has changed." This article is based on an interview with Mr. Nobuyuki Matsuzawa, Principal Engineer at the Process Device Innovation Center of Panasonic Industry Co., Ltd. Please take a look. *For more details, please refer to the PDF document or feel free to contact us.*

  • Software (middle, driver, security, etc.)
  • aluminum
  • Memory

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Collection of Japanese Examples: Moisture Absorption Prediction and Its Effects on Amorphous Amylose Starch

Collection of Japanese Examples: Moisture Absorption Prediction and Its Effects on Amorphous Amylose Starch

Molecular dynamics simulations that promote the optimization of quality and processing in food and beverages, packaging, and pharmaceuticals.

Schrödinger provides a powerful and user-friendly integrated software solution for the research and development of consumer goods. Schrödinger's platform is designed for a wide range of users, from beginners to experts in computational chemistry, offering a simple workflow to build, simulate, and analyze real systems using advanced physics-based modeling and machine learning technologies. ■ Accurately predicts key physical properties such as the glass transition temperature (Tg) of amorphous amylose polymers in both wet and dry states. ■ Effectively models water absorption and transport by investigating the impact of moisture content on Tg and the diffusion of water within starch polymers. ■ The OPLS3e force field provides high accuracy for amorphous starch models. ■ Detailed studies of the interactions between water and amylose, along with further research on the effects of components on complex starch formulations.

  • Embedded OS
  • plastic
  • Organic Natural Materials

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[Presentation of Japanese Materials] Enhancing the Precision and Speed of Material Development with High-Performance Computational Tools

[Presentation of Japanese Materials] Enhancing the Precision and Speed of Material Development with High-Performance Computational Tools

[Japanese Flyer] Overview of Schrödinger's Materials Science Platform

Schrödinger provides a software platform for innovation in the development of diverse materials, including polymer materials, organic electronics, catalysis and reactivity, thin film processes, energy recovery and storage, pharmaceutical formulations, consumer goods, metals, alloys, and ceramics. By exploring vast compound spaces and predicting molecular properties with high precision, it supports the rapid design of new materials and enhances cost efficiency. This document provides an overview of the platform for materials development. *For more details, please feel free to contact us.*

  • Embedded OS
  • Composite Materials
  • Contract Analysis

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