![\"Simulation](\"https:\/\/www.controleng.com\/wp-content\/uploads\/2024\/11\/CTL2203_WEB_IMG_NCSU_Simulation_Nanoparticles.jpeg\")
\u201cThat\u2019s why we\u2019ve developed a method that accounts for all of these interactions, and created open-source software that the materials science community can use to implement it.\u201d<\/p>\n
\u201cWe\u2019re optimistic that this will facilitate significant new research on multi-functional MNPs,\u201d Yingling said.<\/p>\n
To demonstrate the accuracy of the new tool, the researchers focused on oleic acid ligand-functionalized magnetite nanoparticles, which have already been studied and are well-understood.<\/p>\n
\u201cWe found that our tool\u2019s predictions of the behavior and properties of these nanoparticles was consistent with what we know about these nanoparticles based on experimental observation,\u201d Mahmood said.<\/p>\n
What\u2019s more, the model also offered new insights into the behavior of these MNPs during self-assembly.<\/p>\n
\u201cWe think the demonstration not only shows that our tool works, but highlights the additional value that it can provide in terms of helping us understand how best to engineer these materials in order to leverage their properties,\u201d Yingling said.<\/p>\n