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cond-mat.mtrl-sci2025
Spectroscopic Determination of Site-Selective Ligand Binding on Single Anisotropic Nanocrystals
Dong Le, Wade Shipley, Alexandria Do +17
Organic surface ligands are integral components of nanocrystals and nanoparticles that have a strong influence on their physicochemical properties, their interaction with the envir…
cond-mat.mtrl-sci2021
The Phase Diagram of Carbon Dioxide from Correlation Functions and a Many-body Potential
Amanda A. Chen, Alexandria Do, Tod A. Pascal
The phase stability and equilibria of carbon dioxide is investigated from 125 -- 325K and 1 -- 10,000 atm using extensive molecular dynamics (MD) simulations and the Two-Phase Ther…