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Questions tagged [interatomic-potentials]

Questions related to the various types of interatomic potentials that are used in materials modeling.

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DIY molecular dynamics for Xenes on crystal surfaces; where can I get applicable open-source force field parameters that I can use in my scripts?

The linked question(s) below describes a DIY project to simulate how Xenes (honeycomb nets of atoms like graphehe) behave on single crystal surfaces. Behaviors include rotation, strain, and heigh ...
uhoh's user avatar
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3 votes
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Lost atoms in a lammps simulation

I am simulating the thermal conductance along the z axis for bilayer graphene sandwiched by Al2O3 system. This is my input setting. ...
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2 votes
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How to use interatomic potential in LAMMPS

This is my input file for the lammps simulation. ...
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