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  4. We will be exhibiting at "Kansai Plastic Japan" from May 11 (Wednesday) to May 13 (Friday).
SEMINAR_EVENT
  • May 09, 2022
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May 09, 2022

We will be exhibiting at "Kansai Plastic Japan" from May 11 (Wednesday) to May 13 (Friday).

シュレーディンガー シュレーディンガー
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.
Date and time Wednesday, May 11, 2022 ~ Friday, May 13, 2022
10:00 AM ~ 05:00 PM
Capital Intex Osaka
Entry fee Free Registration is required.
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Related Documents

A4資料_LiveDesign_0302.pdf[4344780]

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A4資料_MSS全体_0222.jpg

Introducing Schrödinger's materials development support products in an easy-to-understand manner.

Support for property prediction, analysis, and design based on molecular structure and nanoscale structure through large-scale statistical analysis of experimental data and high-precision nanoscale simulations.

We will introduce the features of Schrödinger's Materials Science Solutions (MSS) in an easy-to-understand manner. 【Product Features】 ■ Molecular design using quantum calculations ■ Prediction of liquid and polymer physical properties ■ Crystals, surfaces, and interfaces: First-principles calculations for periodic systems, chemical reactions on electrodes and catalysts, and a wide range of applications to semiconductors/molecular crystals/MOFs ■ Statistical analysis and machine learning ■ Flexible and powerful GUI/CUI user interface *For more details, please feel free to contact us.

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A4資料_高分子_0222.jpg

[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.

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【事例集】machine-learning-case-studies_p1S.jpg

Case Studies: Machine Learning for Materials Research

Case studies on inorganic solids and polymers! Designing new compounds in a cost-effective and time-efficient manner.

High-quality physics-based simulations and machine learning approaches accelerate the research of new materials and shorten the time to market. Through the workflow, it is possible to automatically create hundreds of predictive models using representative machine learning techniques (Partial Least Squares Regression (PLS), Multiple Linear Regression (MLR), Principal Component Regression (PCR), Kernel PLS) combined with descriptors and fingerprints, and select models with high predictive performance (AutoQSAR). For datasets with thousands of data points, similar to AutoQSAR, the workflow allows for the automatic creation of predictive models using deep learning (DeepAutoQSAR, DeepChem/AutoQSAR). To represent the properties of a wide range of materials (polymers, molecules, solids), effective descriptors customized for each system can be utilized.

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【事例集】how-machine-learning-enables-accurate-prediction-of-precursor-volatility_ページ_1.jpg

[Case Study] Machine Learning Enabling Accurate Prediction of Precursor Volatility

Predict the evaporation or sublimation temperature with an accuracy of ±9°C on average, calculating hundreds of complexes per second.

A New Path to Precursor Development: Schrödinger's Machine Learning This predictive model opens a new avenue for designing new precursors with improved performance, optimizing not only the deposition and chemistry but also the temperature at which they can evaporate or sublime to be supplied as vapor. This advancement allows for a much broader range of structural changes to be screened computationally than before, enabling the generation of candidate precursors for experimental synthesis and testing that are less risky and more innovative. With this volatility model and the computational workflow for reactivity and decomposition based on Schrödinger's quantum mechanics, a complete design kit for vapor phase deposition and etching is provided, accelerating research on materials and processes for new technologies. *For 50 common metal and metalloid complexes, the evaporation or sublimation temperature at a given vapor pressure is predicted with an accuracy of ±9°C (about 3% of absolute temperature). *It can compute hundreds of complexes per second, resulting in a fast turnaround time. *For more details, please refer to the PDF document or feel free to contact us.

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[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.

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【製品総合ガイド】24_MS-Product-Guide_ページ_01.jpg

Product Guide Presentation: What High-Speed Molecular Simulation is and How it Accelerates Material Development

Supporting material research and development through high-speed molecular simulations! Here is an overview of our products.

Our Materials Science Suite is capable of addressing a wide range of materials research fields. ■ Property predictions through Density Functional Theory (DFT) calculations and first-principles calculations for periodic systems HOMO/LUMO/pKa/solvent effects/IR/Raman/UV-vis/VCD/NMR/oxidation-reduction potential/triplet excited state energy/TADF S1-Tx gap/fluorescence/phosphorescence/vibrational calculations/structure optimization/transition state calculations/reaction pathway analysis/adsorption energy/bond dissociation energy/electron and hole mobility/reorientation (rearrangement, reconfiguration) energy ■ Property predictions using Molecular Mechanics (MM) methods, Molecular Dynamics (MD) methods, and coarse-grained MD Density/conformation analysis/crosslinked structures/Young's modulus/viscosity/surface tension/glass transition temperature (Tg)/molecular diffusion/thermal expansion/crystal morphology/swelling/stress-strain curves/solubility parameters Methods usable in machine learning Generation of various descriptors and fingerprints/Partial Least Squares (PLS) regression/multiple linear regression (MLR)/Principal Component Regression (PCR)/Kernel PLS/Bayesian classification/Recursive Partitioning (RP) analysis/Self-Organizing Maps/Tg, dielectric constant, boiling point, vapor pressure prediction models/genetic algorithms/active learning

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2020-12-22_11h46_27.png

[Data] Quantum ESPRESSO Interface

By performing it on a single graphical interface, calculations can be done efficiently!

This document introduces the Quantum ESPRESSO Interface handled by Schrodinger's "Materials Science Suite." Through an official partnership, integration between the molecular simulation environment "Maestro" and "Quantum ESPRESSO" has been realized. By performing advanced quantum simulations from crystal structure creation to execution and analysis on a single graphical interface, efficient computational work is possible. Furthermore, calculations using the Effective Screening Medium method allow for the electronic state calculations of various surface-solvent systems, including electrode surface reactions. [Contents] ■ Nanotechnology and Computational Science ■ About Quantum ESPRESSO ■ Main Features of the Quantum ESPRESSO Interface ■ Maestro and Python API ■ Effective Screening Medium Method (ESM Method) *For more details, please refer to the PDF document or feel free to contact us.

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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.

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[Notice of Exhibition Participation by Fukuda Co., Ltd.] JAPAN PACK 2025 Japan Packaging Industry Exhibition

  • NEW
  • SEMINAR_EVENT

We would like to extend our heartfelt congratulations on the continued prosperity of your esteemed company. Our company will be exhibiting at the following trade show, where we will introduce a number of products, including our new product, the Pillow Packaging Full Air Tightness Inspection Machine MSQ-2003. We sincerely apologize for the inconvenience during your busy schedule, but we would like to invite you to visit us at this opportunity. 【 Exhibition Name 】 JAPAN PACK 2025 Japan Packaging Industry Exhibition https://www.japanpack.jp/ 【 Dates 】 October 7 (Tuesday) to October 10 (Friday), 2025 *4 days 10:00 AM to 5:00 PM 【 Venue / Booth Number 】 Tokyo Big Sight / East Hall 8, Booth 8-505

Sep 05, 2025

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"Grant x DX Human Resource Development" Explained by a Labor and Social Security Attorney! A Solution to Address Labor Shortages - Methods to Cultivate DX and IT Talent While Keeping Costs Down.

  • NEW
  • SEMINAR_EVENT

More and more companies are trying to address the increasingly serious shortage of human resources through employee development. However, there are some concerns regarding effective training... ✓ We want to improve the skills of new and existing employees. ✓ There are no instructors or training know-how within the company. ✓ The cost of training is high and does not reach all employees. To address these concerns, "Human Resource Development Professionals, PC Assist Co., Ltd." and "Subsidy Professionals, Social Insurance Labor Consultant Corporation Management Center" will respond! We will thoroughly explain ways to secure human resources while keeping costs down. Please feel free to join us.

Sep 05, 2025

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OMEGA controller (AC100V power supply specification. Also compatible with solar power specifications.)

We will exhibit at the 12th International Smart Agriculture EXPO from October 1 to 3, 2025.

  • NEW
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ES Waternet Co., Ltd. will exhibit at the 12th International Smart Agriculture Expo held at Makuhari Messe. We will showcase various products including the "Valve Remote Monitoring and Control System OMEGA," which allows for the setting, operation, and monitoring of irrigation programs, including various sensor controls, remotely via PC or smartphone through the cloud; the "Micro Fogger Set," ideal for cooling and humidifying with fine mist in greenhouses and livestock barns; and the "ES Nutrient Cultivation System," which packages automatic irrigation timers, solenoid valves, liquid fertilizer injectors, pressure control valves, air valves, and filters necessary for cultivation in greenhouses. We look forward to welcoming you to our booth.

Sep 04, 2025

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Analysis Seminar "Organic Structure Analysis - Beginner Level"

  • NEW
  • SEMINAR_EVENT

When conducting structural analysis of organic compounds, IR, NMR, and MS can be considered the three sacred treasures. If the analysis is performed correctly, it is possible to elucidate the structure of even quite complex compounds. However, actual spectra are often not of a single compound, as seen in textbooks, which can lead to significant challenges in interpreting results for beginners in analysis. Additionally, while database searches are a useful tool in structural analysis, the ability to read spectra is necessary to select the correct structure from among the candidates, not just pattern matching. In this course, we will lecture on the basic ways to interpret IR, NMR, and MS spectra, including simple explanations of principles, points to be aware of during analysis, and how to proceed with actual analysis, incorporating some exercises as well.

Sep 04, 2025

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Notice of Participation in the Livestock Industry Materials EXPO

  • NEW
  • SEMINAR_EVENT

We will be exhibiting at the "Livestock Materials EXPO" held at Makuhari Messe! We plan to showcase examples of our "Fermentation Drying Equipment for Livestock Manure," provide information on our "Composting Equipment and Deodorants," and introduce our "Subsidy Projects." Please feel free to stop by our booth. We will give a small gift to those who fill out our survey or have implemented our composting system! We look forward to meeting everyone. = Exhibition Information = Dates: October 1 (Wednesday) to October 3 (Friday), 2025, for three days from 10:00 to 17:00 Venue: Makuhari Messe, Halls 5-7, 9, and 10 2-1 Nakase, Mihama-ku, Chiba City Booth Number: Hall 9, 35-6

Sep 04, 2025

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