Dear Psi-k members,

I'm pleased to introduce Materials Square(MatSQ) to Psi-k community.

MatSQ  is a web-based materials simulation platform that enables users to easily calculate various properties of materials (experiment and theory) using DFT (Density Functional Theory), MD (Molecular Dynamics) and CALPHAD (Calculate Phase Diagram) to provide a research environment. In particular, this research environment is provided on-demand policy with no initial cost of tens of thousands of dollars, enabling computational science without entry barriers.

Some features of MatSQ are as follows:

[Modeling]

• Structure builder : Crystal Builder, Search structure from public database(materials project), Upload existing structure file,..
• Structure Manipulator : Cleave Surface, Strain/Clone/Merge cell, Substitution, Add/Fill molecules,.. 
• Export generated structure as various formats
• ...

[Simulation]

• Input Script generator for Quantum Espresso
• Phonon Calculations
• CALPHAD(Binary, Ternary, List-Equilibrium, Multi-component Phase diagram, Function Diagram, User-defined Diagram,...)
• LAMMPS(Cascade, Thermal Conductivity, Dislocation, Tensile test, User-defined MD simulations,..)
• ...

[Analysis]

• Visualization for DOS/Band/Charge
• MD Trajectory visualization
• Curve Fitting Tool
• ...

https://www.materialssquare.com