[gmx-users] (NEW USER) Determining Complex Dielectric property of a solid state system

Tahsin Ashraf Khan tahsin-ashraf.khan at students.mq.edu.au
Wed Apr 15 13:30:19 CEST 2020


Hi All
Hope everyone is doing well. I'm Tahsin, currently doing a Master of
Engineering in Electronics at Macquarie University, Sydney, Australia. I
would like to request everyone here to shed some light regarding a research
I'm currently involved in. We are trying to develop a method of determining
the Complex Dielectric property of solid sate systems through MD
simulations. We've chosen the GROMACS software package to do that.
Similar works have been done before but all of them involved solution-based
systems. To be honest, It's been just 2 months that I'm trying to learn MD
simulations so I'm not at all well versed in the capabilities of GROMACS.
Have a nice day.
Best Regards
Tahsin


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