We have compiled a list of manufacturers, distributors, product information, reference prices, and rankings for Simulation Software.
ipros is IPROS GMS ・ IPROS One of the largest technical database sites in Japan that collects information on.

Simulation Software(Materials) - List of Manufacturers, Suppliers, Companies and Products

Simulation Software Product List

16～30 item / All 34 items

Displayed results
[Example] Metal ion aggregation in the electrolyte of MaterialsStudio

[Example] Metal ion aggregation in the electrolyte of MaterialsStudio

Introduction of aggregation cases of metal ions in electrolyte solutions using "Materials Studio".

"Materials Studio" can perform battery characteristic calculations [Case Study] ◇ Introduction of aggregation cases of metal ions in electrolytes - RDF calculations were conducted to investigate the aggregation of LiPF6/PC-based electrolytes. - From the RDF, the size of the solvation shell can be examined. - Additionally, using this model, ion diffusion coefficients and charge transport characteristics can also be calculated. [Product Features] ■ Also ideal for "Materials Informatics" ■ Simulation software that streamlines material development It can be utilized by those engaged in research, development, design, and manufacturing across various industries. ■ Helps in the development of new materials more efficiently and easily. ■ Supports various types of materials. ■ All tasks, including crystal structure creation, calculation condition settings, and calculation result display, can be performed on a single GUI screen. *For more details, please feel free to contact us. Wavefront Corporation Sales Department MAIL: sales@wavefront.co.jp

  • others
  • plastic
  • Other metal materials

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[Case Study] Investigation of Graphene Materials for Li-S Batteries

[Case Study] Investigation of Graphene Materials for Li-S Batteries

"Materials Studio" can perform battery property calculations [Case Study] Here we introduce a paper case.

By using nitrogen and metal-doped graphene for the cathode, we analyze the adsorption energy on the metal part with respect to lithium polysulfide intermediates. ◎ Calculation Model Using the DMol3 module in the 'Materials Studio' quantum mechanics calculations - The adsorption energy was determined by performing energy calculations on the structure. - Similar calculations were conducted for various polysulfides and patterns of metal atoms on graphene, allowing for comparisons of the relationship between the number of sulfur atoms in polysulfides and the adsorption energy. ◎ Discussion of the Obtained Physical Property Values - Various PDOS and energy values for Li2Sn/AM were presented. - It was observed that when Cr, Fe, Mn, and Cu were used among the metals investigated, there is a strong interaction between polysulfides and Co-N4/graphene, and that this interaction strengthens as the chain length of the polysulfides decreases. 【Product Features】 ■ Also optimal for "Materials Informatics (MI)" ■ Simulation software that streamlines material development ■ Helps in the development of new materials more efficiently and easily *For more details, please feel free to contact us.

  • plastic
  • Other metal materials
  • Contract Analysis

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[Case Study] Water Adsorption on the Surface of V2O5 Electrodes Used in Water Batteries

[Case Study] Water Adsorption on the Surface of V2O5 Electrodes Used in Water Batteries

"Materials Studio" can perform battery property calculations [Case Study] Here we introduce a paper case.

In this paper, we analyze the behavior of water molecules adsorbed on surfaces such as V2O5(1 0 0) using Materials Studio. ◇ It is possible to analyze the relationship between functional groups on the surface of 2D layers, density of states, and adsorption properties. 【Product Features】 ■ Also optimal for "Materials Informatics (MI)" ■ Simulation software that streamlines material development ■ Helps in the development of new materials more efficiently and easily *For more details, please feel free to contact us.

  • plastic
  • Other metal materials
  • Contract Analysis

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[Case] Electrode Expansion in Charging and Discharging of MaterialsStudio

[Case] Electrode Expansion in Charging and Discharging of MaterialsStudio

"Materials Studio" can perform battery characteristic calculations. [Case Introduction] We will present examples of electrode expansion during charging/discharging.

◇Introduction of Electrode Expansion Cases in Charging/Discharging - Here, we are calculating and plotting the volume of the electrode to observe changes in the active material. - It is believed that the anode experiences an increase in volume due to the weakening of the intercalation bonds in the graphite layers caused by Li intercalation. - In the cathode, the volume increases with the decrease of Li ions. 【Product Features】 ■ Also optimal for "Materials Informatics" ■ Simulation software that streamlines material development Available for use by those engaged in research, development, design, and manufacturing across various industries. ■ Helps in the development of new materials more efficiently and easily. ■ Compatible with various types of materials. ■ All tasks, including crystal structure creation, calculation condition setting, and calculation result display, can be performed on a single GUI screen. *For more details, please feel free to contact us. Wavefront Corporation Sales Department MAIL: sales@wavefront.co.jp

  • others
  • plastic
  • Other metal materials

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[Example] MaterialsStudio semiconductor band gap calculation

[Example] MaterialsStudio semiconductor band gap calculation

"Materials Studio" is also useful for semiconductor material development. [Example] We will guide you through the band gap calculation of semiconductor GaAs.

◇Introduction of Band Gap Calculation Example for Semiconductor GaAs - GaAs, a semiconductor, is used in transistors and has the characteristic of high electron mobility. - The energy level between the valence band and the conduction band is called the band gap. - By investigating the band gap, characteristics such as electrical conductivity and conversion efficiency can be understood. - Using quantum mechanical calculations, it is also possible to investigate semiconductors that are attracting attention as materials. 【Product Features】 ■ Also optimal for "Materials Informatics" ■ Simulation software that streamlines material development Available for use by those engaged in research, development, design, and manufacturing across various industries. ■ Helps in the development of new materials more efficiently and easily. ■ Supports various types of materials ■ All tasks, including crystal structure creation, calculation condition setting, and calculation result display, can be performed on a single GUI screen. *For more details, please feel free to contact us. Wavefront Corporation Sales Department MAIL: sales@wavefront.co.jp

  • others
  • plastic
  • Other metal materials

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[Example] MaterialsStudio Transition State Exploration

[Example] MaterialsStudio Transition State Exploration

[Example] We will guide you through the exploration of transition states using LST/QST.

◇Transition State Exploration Using LST/QST: Case Study - To explore the potential energy surface of a chemical reaction, information regarding structural, energetic, and kinetic aspects for each step of the reaction process is necessary. - Among that information, finding the transition state is particularly important. - In this case study, we analyze using LST and QST, which are well-known methods for transition state exploration, in Materials Studio. 【Product Features】 ■ Also ideal for "Materials Informatics" ■ Simulation software that streamlines material development Available for use by those engaged in research, development, design, and manufacturing across various industries ■ Helps in the development of new materials more efficiently and easily. ■ Compatible with various types of materials ■ All operations, including crystal structure creation, calculation condition settings, and calculation result display, can be performed on a single GUI screen. *For more details, please feel free to contact us. Wavefront Corporation Sales Department MAIL: sales@wavefront.co.jp

  • others
  • plastic
  • Other metal materials

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[Case Study] Reduction of Electrolyte and Formation of SEI Film in MaterialsStudio

[Case Study] Reduction of Electrolyte and Formation of SEI Film in MaterialsStudio

"Materials Studio" can perform battery property calculations [Case Study Introduction].

◇Introduction of examples of electrolyte reduction and SEI film formation - The SEI film refers to the film formed by the decomposition products of the electrolyte on the electrode surface. - Its role includes preventing excessive decomposition of the electrode liquid and regulating the ions absorbed by the electrode; however, an increase in the SEI film can lead to increased electrical resistance and a decline in battery performance. ◆Details of the case - A Li / Li2CO3 / EC model was created. - The energy barrier of the SEI film, which plays a role in preventing excessive ion supply to the electrode, can be observed. - The charge transfer coefficient α, calculated from the Butler-Volmer equation, is approximately 0.22, which matches the experimental value. - This report has enabled a bottom-up modeling approach for battery design. 【Product Features】 ■ Also optimal for "Materials Informatics" ■ Simulation software that streamlines material development It can be used by those engaged in research, development, design, and manufacturing across various industry sectors. ■ Helps in the development of new materials more efficiently and easily. *For more details, please feel free to contact us. Wavefront Inc. Sales Department MAIL: sales@wavefront.co.jp

  • others
  • plastic
  • Other metal materials

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[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

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
[Japanese Example] Calculation and Analysis Tool for Environmentally Friendly Cosmetic Formulation Design

[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

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
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

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
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

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
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

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
OMNISIM (Photonic simulation)

OMNISIM (Photonic simulation)

OMNISIM is software that analyzes photonic devices/grating structures using solvers such as FDTD/FETD/RCWA.

A unique combination of FDTD and FETD simulators OmniSim is the only software package to include both FDTD and FETD engines. This combination allows you to get the best of both worlds: FDTD for quick approximate simulations and FETD for higher accuracy, or even just to check your FDTD calculations with an alternative method.

  • Company：CTflo
  • Price：Other
  • Contract Analysis
  • Other analyses
  • simulator

Added to bookmarks

Bookmarks list

Bookmark has been removed

Bookmarks list

You can't add any more bookmarks

By registering as a member, you can increase the number of bookmarks you can save and organize them with labels.

Free membership registration
COPYRIGHT © 2001-2025 IPROS CORPORATION ALL RIGHTS RESERVED.