Dear all,
Can you list to me few names of good and quick to use software for building complex materials for MD simulations using LAMMPS? The system I gonna model is a mixture/slurry composed of two ceramics and organic solvent. My experience in materials visualization is with VESTA, but looking to geometries LAMMPS can simulate, I feel there are many more powerful packages that can do such complex geometries in a quick manner.
Please let me know your suggestions.
Best regards
May get some approach here...
https://www.youtube.com/watch?v=o8ZBgtXbMZ4
https://www.youtube.com/watch?v=oMKNMmzj-V4
see the answers to a similar question
https://www.researchgate.net/post/What_can_be_a_suitable_tool_for_building_geometry_for_MD_simulation_in_LAMMPS
Do not forget, the LAMMPS package have a lot of commands that can help you to build systems. However, there are several programs that can help you. See https://lammps.sandia.gov/prepost.html#builders
ASE (https://wiki.fysik.dtu.dk/ase/ase/calculators/lammps.html) can be used to build structures for LAMMPS and to submit jobs for LAMMPS.
Here are some molecular bulders that support LAMMPS:
https://lammps.sandia.gov/prepost.html#:~:text=Molecular%20Builders,complex%20task%20of%20its%20own.
Among them, Molteplate and Enhanced Monte Carlo are good and freely available, but there can be some limitations/challenges when modeling complex geometries. This presentation provides an overview of Molteplate:
http://moltemplate.org/doc/moltemplate_talk_2019-8-15.pdf
May get some approach here...
https://www.youtube.com/watch?v=o8ZBgtXbMZ4
https://www.youtube.com/watch?v=oMKNMmzj-V4
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