Materials Square is
All-in-one materials simulation web platform.|

We provides Quantum Espresso for DFT and LAMMPS for MD simulation which are open sources. The interface is designed exclusively for MatSQ users and offers templates that are easy to use even for beginners of the simulation.

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Free Structure Modeling

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21. Electric Field
2019-09-05 06:05:11

Using the Electric field correction option, we can adjust the bandgap of Graphene bilayer by applying the electric field to the Graphene bilayer.

$ 9.74
for this data
22. Formation Energy
2019-09-11 04:39:52

Formation Energy is the value to be used as a measure of the amount of energy entering and exiting a chemical reaction, thus providing a basis for determining thermodynamic stability.

$ 1.94
for this data
23. Spin-orbit Coupling
2019-09-18 09:14:22

According to the relativistic theory, the dipole moments of electrons weakly interact with the orbital motions they make. This interaction is called Spin-orbit coupling (SOC). Applying SOC corrections to the simulation yielding the fine-structure of the system.

$ 1.20
for this data

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