About
This faculty member is associated with the Penn State Intercollege Graduate Degree Program (IGDP) in Materials Science and Engineering (MatSE) where a multitude of perspectives and cross-disciplinary collaboration within research is highly valued. Graduate students in the IGDP in MatSE may work with faculty members from across Penn State.
Research Projects
Simulations of 2D-material synthesis, simulations of ferroelectric materials and material growth.
Publications
- Nayir, N., Mao, Q., Wang, T., Kowalik, M., Zhang, Y., Wang, M., Dwivedi, S., Jeong, G.-U., Shin, Y.K. and van Duin, A.C.T. (2023) Modeling and Simulations for 2D Materials: A ReaxFF perspective. 2D Materials 10, 032002. Senftle, T., Hong, S., Islam, M., Kylasa, S.B., Zheng, Y., Shin, Y.K., Junkermeier, C., Engel-Herbert, R., Janik, M., Aktulga, H.M.,
- Verstraelen, T., Grama, A.Y. and van Duin, A.C.T. (2016) The ReaxFF Reactive Force-field: Development, Applications, and Future Directions. Nature Computational Materials 2, 15011
Awards
- 2021: Awarded Distinguished Professor title
- 2017: Penn State Faculty Scholar Medal
- 1999: Royal Society University Research Fellowship
- 1997: Marie Curie Fellowship