class: center, middle # WilmerLab Group Meeting ## .red[Kutay B. Sezginel] ### Research Update #### March 26, 2018 --- class: center ### TherMOF Screening
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--- class: center, BlackBackground # Nanocar
--- class: center, middle ### Surface diffusion .col3[DC
] .col3[HtBDC
] .col3[Violet .red[Lander]
] .col3[C60
] .col3[.red[p-Carborane]
] .col3[PVBA
] .col3[BtPHD
] .col3[DNHD
] .col3[TPEE
] --- ### Automated structure generation - Molecules are aligned to xy-plane - Metal slab is generated to have ~ 50 Å x 50 Å x 5 Å dimensions - Molecule is placed in the middle and 5 Å above (+z) the surface --
--- ### Effect of force field on the structures
-- ### Next steps - Finalize Lammps procedure - Calculate diffusion coefficient --- class: center, middle #
Thank you!
# Q & A