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dr.amol.patil
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3 years 11 months ago #618 by dr.amol.patil

Hi,
I am a postdoctoral researcher working towards Ionic Liquid chemistry. I am looking forward to use Cassandra for MC simulations of ionic liquid systems. The target is to scout for the most probable arrangement of ionic liquid molecules around a reaction centre.

Although I have carried out ab initio calculations earlier during my PhD this is my first time to use ensemble/Force Field based methods.

Suggestions and guidance from the expert users of Cassandra are welcome.

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ejmaginn
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3 years 11 months ago #619 by ejmaginn

Glad to hear you are interested in using Cassandra. We have some workshop materials posted here

cassandra.nd.edu/index.php/documentation

that you can download and use to help you learn the code. There are some tutorials (even one on emim PF6 simulation) that should be helpful to you.

The following user(s) said Thank You: dr.amol.patil

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dr.amol.patil
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3 years 11 months ago #620 by dr.amol.patil

Dear sir,
Thank you very much for the warm welcome and for the link to workshop materials.
I will keep posting problems/confusions arising, if any, in appropriate topic forums.

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