Emily Kahl

Supercomputing Applications Specialist

Queensland, Australia
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Summary

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Senior
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Emily Kahl is a Supercomputing Applications Specialist and computational physicist with nine years of experience applying high-performance computing to molecular and atomic science. Based in Queensland, Australia, she combines a PhD in Physics (UNSW) and first-class honours in computational science with hands-on research-software engineering, notably contributing Kokkos and hipFFT performance improvements to the widely used LAMMPS molecular dynamics code. At Pawsey and previously AIBN she has bridged domain science and HPC, shipping optimized kernels and debugging complex parallel routines that accelerate triclinic cell and thermostat computations. Colleagues rely on her for pragmatic, reproducible HPC workflows and for translating theoretical models into production-ready simulation code.
code9 years of coding experience
job3 years of employment as a software developer
bookBachelor of Science - BS, Physics and computational science, Hons. Class I, Bachelor of Science - BS, Physics and computational science, Hons. Class I at The University of Queensland
bookUNSW Sydney
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Github Skills (8)

c-language10
molecular-dynamics-simulation10
cprogramming-language10
molecular-simulation10
k10
dynamics10
fft8
fftw8

Programming languages (5)

C++SCSSJupyter NotebookPythonFortran

Github contributions (5)

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lammps/lammps

Jun 2021 - Apr 2022

Public development project of the LAMMPS MD software package
Role in this project:
userBack-end Developer
Contributions:1 review, 15 commits, 2 PRs in 10 months
Contributions summary:Emily primarily contributed to the LAMMPS MD software package by implementing and refactoring Kokkos-enabled routines, focusing on performance improvements for triclinic cell calculations and the SLLOD thermostat. They fixed bugs in existing Kokkos kernels and added new Kokkos implementations for compute temp/deform. Further contributions include the addition of hipFFT support and documentation updates.
lammpsmolecular-dynamicssimulationkokkos
emilyviolet/lammps

May 2021 - Nov 2023

Public development project of the LAMMPS MD software package
Contributions:38 pushes, 12 branches in 2 years 6 months
lammps
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Emily Kahl - Supercomputing Applications Specialist