Document Type
Poster
Conference Title
Oklahoma Supercomputing Symposium 2016
City and State
Norman, OK
Publication Date
9-20-2016
Abstract
This research is in fulfilment with Blue Waters Student Internship Program (BWSIP). This project employs High Performance Computing (HPC) to solve quantum mechanics based calculations concerning molecular structures and properties. Currently studying proximal influences on FeCO bonding and vibrational dynamics in {FeCO}6 porphyrinates.
Recommended Citation
Saluja, Prabhjyot and Evert, Jeremy, "Computational Molecular Modeling – Solving Quantum Mechanics Based Calculations Concerning Molecular Properties and Structures" (2016). Student Research. 2.
https://dc.swosu.edu/cpgs_edsbt_bcs_student/2
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