Bio
Spancer starts her journey in ORNL as a postdoctoral research associate in the Advanced Computing for Chemistry and Materials group in the Science Engagement section at the National Center for Computational Sciences (NCCS) in 2024. Prior to joining ORNL, Spancer worked on method development in exploring the properties of various wavefunctions and non-orthogonal configuration interaction (NOCI) methods when exposing to the different electric fields in Fortran during her PhD research. Specifically, Spancer implemented basin hopping algorithm within Lie Algebra context to take advantage of the stochastic nature when searching over the high-dimensional wavefunction parameter space and debug and utilize the time-dependent configuration interaction (TDCI) code to reveal the NOCI electric responses comparing with higher-order orthogonal configuration interaction (OCI) methods.
Spancer’s research at ORNL will focus on projects to understand and improve the scalable and accelerated performance behavior of the GronOR non-orthogonal configuration interaction code on both Summit and Frontier. In addition, she will use this code to study chemical system of interest for photovoltaic applications, in particular singlet fission processes.