Dr. Yaroslava Yingling

Dr. Yaroslava Yingling

Materials Science and Engineering

Phone: 919-513-2624
Instructor Website
Research Website

MSE 721 Nanoscale Simulations and Modeling

3 Credit Hours

The course is designed to assist engineering students in learning the fundamentals and cutting-edge nature of various simulations methods and their application to nanostructures and nanotechnology. The modeling tools range from accurate first principles quantum-based methods to multi-scale approaches that combine atomic and continuum modeling. Systems to be examined include carbon fullerenes and nanotubes, diamond clusters, photonic crystals, quantum dots, ligand stabilized nanoparticles, bio-nanostructures, and bulk nanostructured metals.


Previous knowledge of simulations is not required. The course is appropriate for advanced undergrads and graduate students in materials science, engineering, chemistry, physics and biomedical fields.

Course Objectives

After completing this course, students will be able to:

  • Identify and explain advantages and limitations of various computational techniques;
  •  Explain the properties of various nanomaterials and nanosystems;
  • Select appropriate computational methods that can help address specific materials, properties and processing;
  • Evaluate literature based on the use of computational techniques;
  • Design research problems with the use of computational technique

Course Requirements

  1. All students must have access to the EOS computing system.
  2. Attendance is expected. Absences and late or missed assignments can be excused as defined in NCSU’s attendance policy. Any arrangements for making up missed work must be made with the instructor at least 48 hours in advance for non-emergency excused absences and immediately upon your return to class for emergency absences. In all cases, contact the instructor prior to an excused absence. Verification of all absences will be required.
  3. Homework assignments and projects must be completed individually.
  4. Students are expected to adhere to the guidelines for academic integrity as outlined in the NCSU Code of Student Conduct ( Cheating and plagiarism will result in loss of credit for the assignment in question and filing of the Report of an Academic Integrity Violation.
  5. Reasonable accommodations will be made for any student with a verifiable disability. To take advantage of available accommodations, students must register with Disability
    Services. For more information, see Disability Services for Students ( For additional information on NC State’s policy on working with students with disabilities, please see the Handbook for
    Teaching and Advising (
  6. Students are responsible for reviewing the PRRs which pertain to their course rights and responsibilities. These include: (Equal Opportunity and Non-Discrimination Policy Statement), (Office for Institutional Equity and Diversity), (Code of Student Conduct), and (Grades and Grade Point Average).

Required Reading: Reading assignments in the form of research papers, reviews and book chapters will be assigned throughout the semester. Each assignment will include a series of
questions to be turned in and graded. The readings will be distributed via the course website, or
put on reserve in the Hunt library. Distance students should contact the instructor for access to the

Projects: Hands-on projects will be required in lieu of a midterm and final exam. Students will be able to either choose from a suggested project provided by the instructors, or they may carry
out a computational project of their own design after approval by the instructors.

Grading: Approximately 60% of the course grade will be based on the readings and homework,
and 40% based on the project. Course grades will be assigned following the usual 10 points per
letter grade. Plus and minus grades (e.g., A+, A, A-) will be assigned per the convention 90-92.9
= A-, 93-97.9 = A, 98-100 = A+.

Computer and Software Requirements

Please review minimum computer specifications recommended by NC State University and Engineering Online.