We have compiled a list of manufacturers, distributors, product information, reference prices, and rankings for Simulation software.
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Simulation software Product List and Ranking from 175 Manufacturers, Suppliers and Companies

Last Updated: Aggregation Period:Dec 31, 2025~Jan 27, 2026
This ranking is based on the number of page views on our site.

Simulation software Manufacturer, Suppliers and Company Rankings

Last Updated: Aggregation Period:Dec 31, 2025~Jan 27, 2026
This ranking is based on the number of page views on our site.

  1. FsTech Kanagawa//software
  2. アスペンテックジャパン/AspenTech Tokyo//software
  3. CGTech Tokyo//software
  4. 4 シュレーディンガー Tokyo//software
  5. 5 null/null

Simulation software Product ranking

Last Updated: Aggregation Period:Dec 31, 2025~Jan 27, 2026
This ranking is based on the number of page views on our site.

  1. Design and Optimization of VOITH Linear Jet FsTech
  2. Aspen Plus process simulation software アスペンテックジャパン/AspenTech
  3. [Research and Development] Mixing Simulation Software 'TEX-FAN'
  4. 4 Engine simulation software "GT-POWER" IDAJ
  5. 5 CNC simulation software『Vericut 9.6』 CGTech

Simulation software Product List

541~555 item / All 727 items

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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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  • simulator
  • Simulation software

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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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[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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  • Embedded OS
  • simulator
  • Composite Materials
  • Simulation software

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[Data] Materials Science Reaction Workflow

It can cover often overlooked conformers, streamline workflows, and enhance reproducibility and predictability.

In the Schrödinger materials science reaction workflow, automatic exploration of the conformational space allows for the coverage of often-overlooked conformers. Furthermore, the automation of quantum chemical calculations eliminates the challenging processes that require meticulous maintenance of hundreds of files and properties, as well as specialized training. This simplifies the workflow and enhances reproducibility and predictability. [Case Study] ■ Diels-Alder Reaction *For more details, please refer to the PDF document or feel free to contact us.

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[Case Presentation] Panasonic New Design of Materials for Organic Electronics

Panasonic and Schrödinger have designed over 50 new molecules that improve hole mobility.

Researchers at Panasonic are working on the novel development of organic semiconductor materials with high-efficiency characteristics. Panasonic is conducting joint research with Schrödinger, utilizing the high processing capabilities for DFT calculations, building machine learning/deep learning models, and enumerating chemical substances, leveraging the computational power and expertise provided by Schrödinger to achieve new designs of molecular materials. This catalog is a collection of case studies on "Novel Design of Hole-Conducting Molecular Materials for Organic Electronics," which Schrödinger has collaborated on with Panasonic. We invite you to read it. *For more details, please refer to the PDF document or feel free to contact us.*

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  • simulator
  • Organic EL
  • Simulation software

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[User Case Presentation] Development of Next-Generation Lithium-Ion Batteries

We will introduce a case of innovative material search implemented in the development of next-generation lithium-ion batteries by the CEO of Eonix.

Eonix is a startup focused on the rapid design of next-generation materials for energy storage technologies targeting home appliances, grid storage, and electric vehicles. CEO Don DeRosa, Ph.D., explains how combining high-throughput screening and physics-based modeling can transform the material discovery process for building better batteries.

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[Case Study] Accelerating the Design of Organic EL Materials through Active Learning

High efficiency and cost performance! An active learning workflow that utilizes the synergy of physics-based simulations and machine learning for predicting optoelectronic properties.

Molecular modeling and simulation tools have been proven effective for materials discovery and are increasingly being adopted in industrial research and development. Digital simulation significantly reduces the time required in research and development workflows compared to traditional experimental approaches, but challenges remain. Schrödinger has made it easier to address these challenges. Recently, Schrödinger developed an active learning workflow that leverages the synergy between physics-based simulations and machine learning for predicting optoelectronic properties. Recent research by Schrödinger, published in Frontiers in Chemistry and presented at SID-Display Week 2022, demonstrates an active learning paradigm for the discovery of OLED materials. *For more details, please refer to the PDF document or feel free to contact us.*

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  • simulator
  • Organic EL
  • Simulation software

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Presentation of Case Studies: Machine Learning Force Fields for Material Modeling

Introduction of use cases for machine-learned force fields.

Machine-learned force fields (MLFF) are designed to improve traditional force fields by incorporating machine learning models to accurately model interactions between atoms and molecules. This technology is based on neural network potential energy surface (NN-PES) architecture, and the model is trained to reproduce the total electronic energy of the system with chemical accuracy. With the combination of OPLS4 for initial structure generation, fast DFT and MD engines, and key MLFF methods, Schrödinger has become a leading partner in MLFF generation. This application note introduces the application of QRNN technology in modeling across three different areas of materials science: liquid electrolytes, polymers, and ionic liquids.

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  • plastic
  • Other polymer materials
  • Simulation software

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High-Efficiency Compound Exploration Realized by FEP+

Widely utilized in the field of chemistry, enabling cost reduction, efficient improvement of molecular profiles, and the exploration of highly accurate new compounds.

FEP+ is a technology based on the free energy perturbation method uniquely developed by Schrödinger. It enables the prediction of binding free energies between proteins and ligand molecules with reliability comparable to experiments across a wide chemical space. *For more details, please feel free to contact us.*

  • Embedded OS
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[Japanese Example] Calculation and Analysis Tool for Environmentally Friendly Cosmetic Formulation Design

[L'Oréal Case] Molecular Dynamics and Coarse-Grained Simulations to Facilitate the Formulation Design of Eco-Friendly Cosmetics

L'Oréal, the world's number one cosmetics company, has gained a deeper understanding of the differences in shear behavior between synthetic polymers and polysaccharide polymers on biomimetic surfaces by utilizing Schrödinger's software. • New insights into the aggregation behavior of shampoo formulations were obtained using simulated hair surfaces. • The influence of polymer topology was demonstrated, linking observed polymer interactions to experimentally observable phenomena. • A framework was established for studying complex formulations in contact with biomimetic surfaces using molecular dynamics simulations. • The design of eco-friendly cosmetic formulations was rationally accelerated.

  • Embedded OS
  • Other polymer materials
  • Computational Chemistry
  • Simulation software

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Free Webinar: Cosmetics Development Utilizing Digital Chemistry, February 19

Physics-based simulation and machine learning software for a wide range of users, from beginners to experts in computational chemistry.

Schrödinger, Inc. will hold a webinar for materials science on February 19 (Wednesday) titled "Virtual testing of personal care and cosmetics formulations using digital chemistry methods." The development of sustainable products faces many challenges, requiring time, resources, and new raw materials. Predictive modeling is gaining attention to streamline this process. It allows for the identification of promising ingredients and formulations that meet standards, as well as new packaging materials, providing molecular-level understanding through virtual testing using computational methods. Specifically, it enables the analysis of the behavior of individual components, the form of formulations, stability, and interactions with biological surfaces. Additionally, it allows for the exploration of interactions between products and packaging materials, helping to identify factors that significantly affect shelf life. In this seminar, we will demonstrate through case studies how computational chemistry can assist in product development, container design, and analysis during product use. We invite you to join us without hesitation.

  • Embedded OS
  • Cosmetic materials and raw materials
  • Cosmetic synthesis and fermentation
  • Simulation software

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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.

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  • plastic
  • Organic Natural Materials
  • Simulation software

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Promotion of Organic Electronics Materials Development

Efficient development of organic electronics materials using the integrated platform Materials Science Suite.

Organic electronics materials are required to have good optoelectronic properties and chemical stability as individual molecules, as well as desirable morphology and thermodynamic properties in the aggregated phase. The Materials Science Suite provides atomic-scale simulations applicable to these systems based on quantum chemistry, molecular dynamics, and machine learning, supporting efficient material development through the insights and theoretical interpretations obtained. *For more details, please refer to the PDF document or feel free to contact us.*

  • Other electronic parts
  • simulator
  • Organic EL
  • Simulation software

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[Presentation of Data] Improvement of Formulation Design Optimization through Coarse-Grained Molecular Simulation

Understanding the mechanisms behind the dissolution reactions of amorphous solid dispersions (ASD) by the collaborative research team of AbbVie and Schrodinger.

Executive Summary - Evaluation of dissolution profiles for various combinations of drugs and polymers under specific conditions - Identification of interactions causing release delays in specific formulations - Cohesive complementary experimental data through molecular-level visual and numerical insights - Insights gained regarding new excipients for formulation compositions to achieve target solubility *For more details, please feel free to contact us.*

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