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Full-Text Articles in Computational Chemistry
Probing Feni Alloys With Atomic Precision, Scipio Han, Kaushik Rajkumar Jayaprabha, Xin Qi
Probing Feni Alloys With Atomic Precision, Scipio Han, Kaushik Rajkumar Jayaprabha, Xin Qi
Wetterhahn Science Symposium Posters
We compared EAM and MEAM atomic potentials for modeling FeNi (tetrataenite), a rare 50/50 alloy found in meteorites. Picking 4 potentials, we calculated minimum lattice constants and order-disorder transition temperatures. MEAM potentials accurately predicted the experimental transition temperature, confirming that MEAM better captures FeNi's directional bonding.
A Molecular Docking Study On Alphavirus Nsp3 Macrodomains, B. Danger Davies
A Molecular Docking Study On Alphavirus Nsp3 Macrodomains, B. Danger Davies
Summer Community of Scholars Posters (RCEU and HCR Combined Programs)
No abstract provided.