Computational science

​Emily works as a software developer embedded in the Bernhardt group, where she develops and maintains numerical codes for molecular simulations. Her two focuses are the development of scientific software for massively-parallel computer architectures (i.e. supercomputers) and on improving the quality and uptake of open-source projects in computational science.

​Emily completed her undergraduate studies in physics and computational science at the University of Queensland, before moving down to Sydney for a PhD at the University of New South Wales. She was awarded her PhD in physics in 2021, focusing on the development and application of high-performance, parallel software for relativistic atomic structure calculations. She returned to UQ to join the Bernhardt group at AIBN in 2020, where she works closely with research-oriented group members to improve accessibility to high-performance computational resources and tools.

Collaborations

​The Pawsey Centre (WA) -  Pawsey Centre for Extreme-Scale Readiness (PaCER) program.

Key Publications

​Kahl and Berengut, AMBiT: A program for high-precision relativistic atomic structure calculations,
Computer Physics communications (2019)

Kahl, Berengut, Laatiaoui, Eliav and Borschevsky, High-precision ab initio calculations of the spectrum of Lr + ,
Phys. Rev. A 100 062505 (2019)

Geddes, Czapski, Kahl and Berengut, Saturated configuration interaction calculations for five-valent Ta and Db,
Phys. Rev. A 98 042508 (2018)

Toretti, Windberger, Ryabatsev, Dobrodey, Bekker, Ubachs, Hoekstra, Kahl, Berengut, Crespo Lòpez-Urrutia and
Versolato, Optical spectroscopy of complex open-4d-shell ions Sn 7+ – Sn 10+ ,
Phys. Rev. A 95 042503 (2017)

Full list of publications available on espace

Funding

The Pawsey Centre (WA) -  Pawsey Centre for Extreme-Scale Readiness (PaCER) program. Grant funding for the development of nonequilibrium molecular dynamics codes for exascale systems, and use of next-generation computational resources for novel scientific outcomes.