[Pw_forum] psuedopotentials between atoms

SMITH, BRIGETTE basmith at coe.edu
Mon Jun 12 21:24:17 CEST 2017


Hello,
I am an undergraduate student looking to find a way to calculate
Lennard-Jones  potentials for Uranium for Molecular Dynamics simulations. I
am looking for the potentials between Uranium and Uranium, Uranium and
Nitrogen, Uranium and Hydrogen, etc. If anyone could direct me to an
example it would be sincerely appreciated.
Thank you,
Brigette Smith
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