Molecular Dynamics:
Get thermal and mechanical property of Polymers with LAMMPS
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.
GUI for LAMMPS
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.
Glass Transition Temperature & Coefficient of Thermal Expansion
You can check the thermal properties of the polymer.
Viscosity
You can obtain the average viscosity from the equilibrium molecular dynamics calculation.
Hildebrand Solubility Parameter
You can calculate the solubility parameters of the polymer. Find the solubility parameter by changing the number of polymers in amorphous cell.
Elastic Properties
You can check the elastic properties of the polymer. The various modulus will be calculated.
To get elastic properties in MatSQ ⇢
Dielectric Constant
You can get the dielectric constants depending on the temperature.
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'.
Guides for simulation beginners
We provide module tips for our users. Follow the detailed guides to start simulation in MatSQ.
See more ⇢
MatSQ Simulation Tip
Polymer MD Modeling
2021-07-20 09:55:19
Polymer is a widely utilized material in
modern industry. So many new polymers are
synthesized all around the world. We need to
experiment to find out the synthesized
polymer is served for the desired purpose.
Researchers spend much time conducting
numerous analyzes on considerable amounts of
samples during the process. Several trials
and errors occur also.
Read more
MatSQ Simulation Tip
Glass Transition Temperature
2021-08-31 10:29:46
According to the temperature, the polymer
can have a hard and brittle ‘Glassy state’
or soft and flexible ‘Rubbery state.’ The
temperature at which the phase transition
occurs is called ‘Glass transition
temperature, Tg.’ The glass transition
temperature only can be applied to amorphous
and semi-crystalline polymers. We can
predict information about which polymer will
exhibit mechanical properties at a specific
temperature through the glass transition
temperature.
Read more
MatSQ Simulation Tip
Dielectric Constant
2021-09-28 09:01:25
Insulating materials which become polarized
when an external electric field is applied
are called dielectric materials. In
particular, some polymers can also be
classified as dielectric materials.
Read more
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