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  • dr.amol.patil
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4 years 9 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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4 years 9 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.
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4 years 9 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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