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[lammps-users] Autoionization of water
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[lammps-users] Autoionization of water

From: ‪Meral Sharkas‬ ‪ <eng_meral.sh10@...16...>
Date: Thu, 30 Nov 2017 11:21:07 +0000 (UTC)

Dear LAMMPS users,

I am new to LAMMPS and I am intending to work on the "Auto ionization of liquid water", as far as I saw in the literature, work has been done using
Car-parrinello molecular dynamics. I checked LAMMPS manual and many examples on it but I suspect that it can be used in my point of research and a code like CPMD should be used. May I confirm with you if LAMMPS can be used in this point or not...

I apologize if my question is a primary one.

Thank you in advance