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Senior Software Engineer
Nanoacademic Technologies• January 2018 - Present
I design and develop atomistic simulation software at Nanoacademic Technologies. I am currently in charge of NanoDCAL, NanoDCAL+ (quantum transport codes), and RESCU and RESCU+ (large-scale DFT/DFPT codes). Except for NanoDCAL, I am involved in the projects since their foundations. My job includes but is not limited to the following tasks: - Planning, designing, and organizing the code base - Designing, implementing, debugging, and tuning new features and modules - Profiling and optimizing all levels of the code - Parallelization (OpenMP+MPI, HPC) - Quality analysis - Testing (unit, integration, functional) - Continuous integration and deployment - Documentation - Customer and partner support and relationship I also provide advice and support to other projects at Nanoacademic in terms of algorithms, optimization, design, continuous integration, and deployment, among other things.
Education
McGill University, Montreal
Physics, PhD• September 2012 - November 2017
I did my PhD under the supervision of Prof. Guo at McGill University. My thesis is entitled “RESCU: extending the realm of Kohn-Sham density functional theory”. I introduce various formulations of Kohn-Sham density functional theory increasing its ability to simulate large numbers of atoms using computers and supercomputers alike. My work is thus at the junction of materials physics, applied mathematics and computer science. One of the outcomes of this work is the program RESCU which makes it possible to simulate atomic systems comprising more than ten thousand atoms. RESCU has been used by several students and associates of Prof. Guo at first and is now maintained and distributed by Nanoacademic Technologies.
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