Materials Square
MatSQ Docs - About (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

Account 

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

Materials Square (MatSQ) is a web-based simulation platform that provides an intuitive interface, convenient workflow, and affordable pay-as-you-go cloud server for anyone to use material simulations easily.
☞ Materials Square Brochure : PDF download



  • The material simulation for everyone
  • Efficiently and economically manage computing resources






  • Intuitive web-based simulation platform
  • On-demand cloud computing service delivery
  • User-friendly interface
  • Intuitive design for data visualization and analysis
  • A powerful, free 3D atomic structure-modeling interface
  • Supporting most structure types
  • Delivers the best computing environment to acquire the best research data
  • Manages computational works and data conveniently and efficiently using the Work Management page






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