Khoa Bui

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How to model the nano-pore correctly in molecular Monte Carlo or molecular dynamics simulations?

Dear experts, What is the correct approach to model a cylindrical nano-pore or a slit-pore in molecular simulations (MC, MD). I have seen numerous papers applied the rigid pore (frozen pore) in...

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What are applications of nanotechnology/nanomaterials in energy-related areas?

Utilizing carbon nanotubes and graphene nanoribbons to enhance the thermal performance of nanocomposites have been an active research topic. What are other potential applications...

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