Are there plans to extend this to surface and cluster systems?

[vzordillo]

Hello. This crystal representation is really nice, and I've been experimenting with this framework for my research. I find it quite fascinating, so I'd like to know if this can also be extended to surface (slab) and cluster systems. I think it could prove to be a valuable tool for catalysis studies. I would really appreciate your feedback. Thank you.

Best regards, Viejay

[xiaohang007]

Hello. This crystal representation is really nice, and I've been experimenting with this framework for my research. I find it quite fascinating, so I'd like to know if this can also be extended to surface (slab) and cluster systems. I think it could prove to be a valuable tool for catalysis studies. I would really appreciate your feedback. Thank you.

Best regards, Viejay

Thank you for your interest in the framework and for the kind words! I'm glad to hear it's proving useful for your research.

Regarding your questions about extending this to other systems: Surface/Slab systems: We do have plans to support layered crystals, and I believe the framework could be extended to surface models as well. While we haven't implemented this yet, the underlying approach should be adaptable. This is definitely something worth exploring, especially given the potential applications in catalysis that you mentioned.

Cluster systems: We've actually experimented with this before, but our initial algorithm didn't perform as well as we'd hoped. Given recent advances in AI-assisted coding tools (ChatGPT plus or pro), it might be worth revisiting this with a fresh perspective.

I'd be very interested to hear more about your specific use cases in catalysis. If you'd like to discuss potential implementations or collaborate on extending the framework, please feel free to reach out. Your feedback and requirements would be valuable in guiding future development.

[vzordillo]

Thank you for getting back to me so quickly. Great work on the 2D materials; layered materials are also good platforms for catalysis. I do have some ideas that I wish to explore with SLICES for catalysis. Besides GitHub, where else can I possibly contact you for correspondence?

[xiaohang007]

Thank you for getting back to me so quickly. Great work on the 2D materials; layered materials are also good platforms for catalysis. I do have some ideas that I wish to explore with SLICES for catalysis. Besides GitHub, where else can I possibly contact you for correspondence? Good. You can contact me through whatsapp.