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Nanomaterials and nanotechnologies are now widespread in all branches of engineering and science, from health care and cosmetics to solar batteries and fuel cells to drug delivery and biotechnology. Our projects focus of metal-organic frameworks (MOFs) - a class of emerging nanoporous materials, which have been attracted a lot of attention due to the Nobel Prize awarded to their inventors in 2025. MOFs are composed of metal clusters connected by organic linkers into various ordered crystalline structures with characteristic scales in the range of nanometers. In order to understand the specifics of structural, transport, and thermodynamic properties at such small scales, we apply the computation methods of molecular and dissipative particle dynamics (MD and DPD) and Monte Carlo (MC) simulation. Students working on this project will learn how to use modern computational and molecular simulation methods and will get hands-on experience in using specially designed software packages. The results of this work will contribute into our current research projects funded by the National Science Foundation. The students are expected to produce data of publishable quality and become co-authors of publications in the leading research journals. Work will be guided by a senior graduate student ,who will provide training and advice. For more info on our group current activities visit http://neimark.rutgers.edu/.
No prior experience is necessary. Interest in fundamental science and computational methods are essential.
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