Lead Scientist of Scientific Computing, Aug 2023 - present

Senior Computational Scientist, July 2022 - July 2023

Computational Scientist, Oct 2019 - June 2022

• I provide consultation with domain expertise in building/using quantum chemistry codes.
• I prepare/teach workshops on topics such as: building C/C++/Fortran codes, using and building containers, using RAPIDS (NVIDIA), using Spark (Apache), benchmarking parallel programs.
• I maintain the software stack of UVA’s HPC cluster “Rivanna” using Lmod and EasyBuild.
• I build software containers with a minimalistic approach, without loss of functionality or performance. Most notably, I reduced the size of AlphaFold by 47% and LightGBM by 99%, compared to images built with official Dockerfiles. Rivanna-Docker repo
• I write Slack robot plugins and Bash/Python scripts. For example: EasyBuild module installation/uninstallation automation, user information query (LDAP and internal database), custom Jupyter kernel installation for users.

UVA Research Computing
Michie Building North 3rd Floor 918 Emmet St N Charlottesville, VA 22903