QuantumATK Forum

QuantumATK => Scripts, Tutorials and Applications => Topic started by: abhijeetdhakane on May 2, 2018, 05:10

Title: Want to bulid polymer
Post by: abhijeetdhakane on May 2, 2018, 05:10

I wanted to build polyethylene polymer structure can anyone help me to build it using the builder?

Thanks

Title: Re: Want to bulid polymer
Post by: Daniele Stradi on May 2, 2018, 08:48

You can use the molecular builder to create multiple C2H4 molecules, join them together, and then impose periodic boundary conditions to create the infinite polymer.
Regards,
Daniele