I have been working on design & synthesis of Porous Organic Polymers (POPs) towards addressing various energy and environmental related issues. Some of my synthesized POPs are having 2D architecture showing semi-crystalline nature as confirmed by the presence of well-defined peaks in powder XRD analysis. I have no expertise in DFT/Monte Carlo simulation method. Therefore, it will be really helpful if somebody agree to perform simulation determining 2D POP structures in a COLLABORATIVE fashion.

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