Materials Square
MatSQ Docs - Getting Started (en)
About  Objectives Advantages Inquiry

Getting Started  To create an account To learn more about the service To learn more about the services Tech Blog Webinar Free User Training To top-up credit


Work  Configuration of the Work page To use Module To connect module Module Menu and Convenience Function Job submit Credit estimation To start with template Options of the work page

Modules   Modeling Structure builder Molecule Builder Special Quasirandom Structure Simulation DFT (Quantum Espresso) General Reaction Path (NEB) Phonon High Throughput DFT (SIESTA) General Pseudopotential Files DFT (GAMESS) GAMESS GAMESS-IRC GAMESS-NEB GAMESS-BDE MD (LAMMPS) Cascade EOS Thermal Conductivity Dislocation Tensile Test Melting & Quenching Custom MD (ChemLAMMPS) Thermalization Tg/CTE Elastic properties Dielectric constant Solubility parameter Viscosity (EMD) Viscosity (NEMD) Phase Diagram Calphad Machine Learning CGCNN Analysis Common Energy Movie Compare Structure Curve Fitting Tools Quantum Espresso QE Analysis Charge Density Density of States Band Structure Optical Property SIESTA Charge Density Density of States Band Structure Optical Property GAMESS Atomic Analysis Surfaces Density of States Vibration Frequency UV/Vis LAMMPS Molecule Analysis Etc. Memo

Data  Move to Data page To read raw data file Find string File Types and Description To Compare Files To download a file

Troubleshooting  Status Message Crash message(QE) Crash message(LAMMPS) Crash message(GAMESS)

Appendix  Tutorial video To prepare a calculation model Quantum Espresso To learn about QE input Functional List SIESTA To learn about SIESTA input GAMESS To learn about GAMESS input LAMMPS To learn about LAMMPS input How to cite Calphad Introduction of Calphad Thermodynamics Database User-Defined Exmaples Function Diagram

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You can find a brief introduction and examples of MatSQ on the main page. Click the button to see the DFT calculation example. If you have difficulty using MatSQ, please read this Materials Square Documentation. Or, you can apply for user training.

You can find various materials simulation tips and application case, and every event and information on Materials Square Tech Blog.

>Go to the Tech Blog

Materials Square provides webinars every month. We will announce the upcoming webinar by email. You can check a schedule and register for the upcoming webinar on the Materials Square Webinar page.

The previous webinar and the upcoming webinar can be check on the Materials Square Webinar page.

Materials Square user automatically be signed up to 'Support Plan: Basic' plan. We provide the technical support from email and chatting to the 'Support Plan: Basic' users. And also, 1 hour of the online tutorial is provided. Please contact us by referring Inquiry document to book the online tutorial.
(*Please note that we will cancel your future application if you don't participate in the scheduled meeting.)

It will be helpful if you refer to the video before apply the tutorial.
👉 Webinar - MatSQ 101: Introduction to Materials Square

The simulation job is performed from the cloud computing server. This process is begun by clicking the 'Start Job!' button of the 'Simulation' module in the 'Work'. The credits start to be deducted after the job status changed to 'running'. Before submitting a simulation job. The running job will be paused when the estimated residual credit (Balance credit - Charged credit) is minus. A paused calculation job will be stopped unless you restart that within a maximum of two weeks.
You can check the balance credit on the top navigation bar and can check the will be charged credit on the dashboard.

You can move to the 'Account' page by clicking the credit information. On the accountpage, you can top up the credit at the 'Buy Credits', 'Billing' tab. Please refer to the link to learn about our pricing policy.
👉 Pricing Policy

Please refer to the ' Buy Credits' document to find out how to top up credit.