MSE Seminar: Nikolas Antolin, Calculation of Thermal Properties from Density Functional Theory

PhD Candidate advised by Wolfgang Windl

All dates for this event occur in the past.

264 MacQuigg Labs
105 W. Woodruff Ave.
Columbus, OH 43210
United States

Abstract

Density functional theory has proven extremely useful in providing materials data to guide multiscale modeling and experimental design. However, the strength of DFT as a ground state theory is undermined by its inability to provide temperature dependence data for many systems of technological importance. This shortcoming can be mitigated by various methods of accessing thermal data using approximations within the DFT framework, the results of which are discussed. The expansion of DFT to thermal properties of materials allows us exciting insight into a myriad of new property relationships that have yet to be thoroughly explored.

Bio

Nikolas Antolin received his Bachelor's degree in Materials Science and Applied Mathematics from the Ohio State University in 2011. Continuing his undergraduate work with the Windl research group, Nikolas was awarded an NEUP fellowship in 2012 for his studies on high-temperature properties of unstable metallic systems.