Materials-MD - Materials Square

From Modeling to MD Simulation

Intuitive structure modeling

You can produce even a complex structure easily through a user-friendly and free 3D graphic interface.

Diverse visualization option

Diverse visualization options allow you to present key features of the structure and to deeply understand of its features.


LAMMPS for MD simulation is provided with fully optimized various pre/post-processing modules.

Reactive forcefield

Currently, MatSQ provides reactive forcefield as a default. The other MD potentials will be supported in the future.

Cloud-Based Web Environment

Cloud computing resource

You can instantly use optimal computing resources for your simulation without complicated processes.

Pay only based on usage

Just start simulation and pay only as much as you used. We also have unlimited computing plan for students and heavy users.

MD Modules

What kind of data do you need?

Basically, the relevant structural information in the static state can be obtained mainly from the nanoscale, and various simulations such as fracture, dislocation movement, and dynamic interaction between structures can be performed.

Thermal conductivity Calculation

Calculate lattice thermal conductivity based on non-equilibrium MD simulation.

To perform thermal conductivity calculation⇢


Calculation the critical resolved shear stress and to evalutate the mobility of a dilocation. You may get stress-strain curve and the structure variations during shear deformation.

To perform dislocation simulation⇢

Equation of State(EOS) simulation

Calculate the equation of state within few second. Ground-state volume and its energy, bulk modulus can be archived.

To get the equation of state⇢

Irradiation Damage Simulation

Cascade module enables to perform irradiation damage simulation. This calculation the structure variations on the high-energy atom(PKA) irradiated.

To perform the irradication damage simulation⇢


You can perform your own MD simulation with your custom input.

To perform MD simulation with your custom input⇢

Tensile test

Perform the tensile test. You can simulate the tensile strength for the system.

To perform tensile test⇢

Melting & Quenching

Obtain the structure by adjusting temperature during simulation.

To perform melting&quenching simulation⇢


Pay Only for Computing Resources

Pay only for using the cloud servers for your simulation.
Currently we also offer two discount options, unlimited computing subscription plan 'Unlimited Plan' and bundle package 'Atom Pack'.

See more ⇢
$0.25 per core hour

Do you need more information?

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