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Dr. Melissa A. Pasquinelli

Associate Professor

Textile Engineering, Chemistry, and Science

Phone: 919-515-9426
Address: 2401 Research Drive
Room: 3324 | Map Location
Google Calendar: Calendar Link

Research Areas

The focus of our research is to design and utilize a variety of multiscale simulation tools at the molecular to mesoscopic scales for applications in nanotechnology, textiles, biomedical engineering, and toxicology.  These multiscale modeling tools relate the physical and chemical interactions of molecules such as polymers and proteins to

  1. their functional properties, including biological, electrical, mechanical, biocompatible, and toxicological; and
  2. their role in processes, such as molecular recognition and self-assembly mechanisms. 

Please refer to our research website for details on specific projects.

Most Recent Publications

1. Quddus, M. A., Rojas, O. J., & Pasquinelli, M. A. (2012). "Molecular dynamics simulations of the thermal stability of crystalline cellulose surfaces coated with oleic acid". Functional Materials from Renewable Sources . Publisher: ACS Books .

2. Chang, D., Goldsmith, M., Tornero-Velez, R., Tan, Y., Grulke, C., Ulrich, E., Lindstrom, A., Pasquinelli, M., Rabinowitz, J., Durtis, D. (2012). "In Silico Strategies for Modeling Stereoselective Metabolism of Pyrethroids". Parameters for PBPK/PD models . Publisher: ACS Books .

3. Tallury, S. S., Smyth, M. B., Pasquinelli, M. A., Cakmak, E. (2012). "Molecular dynamics simulations of interactions between polyanilines in their inclusion complexes with beta cyclodextrins". J. Phys. Chem. B. , 116 (7) , 2023-203. Publisher: DOI: 10.1021/jp206745q .

4. Gurarslan, A., Pasquinelli, M. A., Tonelli, A. (2012). "Comparative threading of guest polymers by host cyclodextrins: Modeling and experimental observations". Polymer Preprints , 53 (1) , 406-407.

5. Chang, D., Goldsmith, M., Tornero-Velez, R., Tan, Y., Grulke, C., Ulrich, E., Lindstrom, A., Pasquinelli, M., Rabinowitz, J., Durtis, D. (2012). In Silico Strategies for Modeling Stereoselective Metabolism of Pyrethroids . ACS Books.

List All Publications

Dr. Melissa Pasquinelli joined North Carolina State University in 2006 as an Assistant Professor in the Department of Textile Engineering, Chemistry, and Science. Her research expertise is in the design and application of computational approaches that predict and modulate the properties of systems at the nanoscale, including polymers, proteins, and fibers. She thoroughly enjoys mentoring young researchers, so members of her research team span from high school students to Ph.D. students. She also teaches a variety of courses each year at the undergraduate and graduate levels on topics such as computer modeling, engineering thermodynamics, and textile materials and systems.

Prior to joining NC State, Dr. Pasquinelli worked for two years as a Computational Chemist with the Office of Research and Development at the U.S. Environmental Protection Agency in Research Triangle Park, where her research focused on the development of molecular modeling techniques to address problems in risk assessment. While at the EPA, she designed computational strategies for high-throughput evaluation of chemical toxicity of environmental chemicals, such as the impact of endocrine disrupting compounds on human health. She received postdoctoral training at Duke University, where she developed computational tools for predicting electron transfer rates in dynamically modified protein complexes, and was awarded a prestigious postdoctoral fellowship from the Sloan Foundation for this work.

In 2002, she received her Ph.D. in theoretical chemistry from Carnegie Mellon University. Her thesis research explored structure-property relationships for organic polymer semiconductors, and she devised an effective particle model that embodies the relevant photophysics for the design of devices made from them. She also received a Graduate Teaching Award in 1999. She received her B.S. in chemistry with honors and minors in writing and mathematics in 1996 from Seton Hill University, a women’s college in Greensburg, PA. She spent the summer of 1995 on an undergraduate research project on the performance of smoke detectors in mine shafts through the Bureau of Mines, U.S. Department of the Interior.

In addition to her research and teaching activities, Dr. Pasquinelli has a long history of community outreach activities, which has included judging several regional and state science competitions a year, mentoring females and minorities interested in technical fields, serving as a mentor to K-12 science teachers through the Teacher Fellows Link Program, leading a local amateur philosophy group, and presenting science-based workshops to students in middle school and high school.

In her spare time, Dr. Pasquinelli enjoys exploring the outdoors, playing cards, listening to music, practicing yoga and pilates, and spending time with her family, friends, and pets. She is originally from Saint Marys, PA, which is near the beautiful Allegheny National Forest.

Community of Science Profile:

LinkedIN Profile:

FALL 2012:

SPRING 2012:


Visit our team website for more details:

Visit our team website for more details:

Postdoctoral Fellow, National Center for Computational Toxicology, U.S. Environmental Protection Agency, RTP, NC

Sloan Postdoctoral Fellow, Department of Chemistry, Duke University, Durham, NC

Ph.D., Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA

B.S., Chemistry, Seton Hill University, Greensburg, PA (Note that this school is distinct from Seton HALL University, and was a women's college when I attended it.)

  • American Chemical Society [1993-present]
  • American Society for Engineering Education [2010-present]
  • Society of Women Environmental Professionals [2006-present]