Mohammad Mostafanejad
Software Scientist at The Molecular Sciences Software institute
Blacksburg, Virginia, United States
Summary
👤
Senior🎓
Top SchoolMohammad Mostafanejad is a lead software scientist specializing in HPC, AI, and ML for computational molecular science, bringing eight years of multidisciplinary research experience that bridges physical chemistry, applied mathematics, and data science. Based at Virginia Tech and the Molecular Sciences Software Institute, he builds scalable scientific software and tooling that accelerates molecular simulation and machine-learning workflows. A PhD-trained physical chemist with additional degrees in theoretical quantum chemistry and nanotechnology, he pairs deep domain knowledge with practical high-performance computing expertise. Mohammad is also a certified instructor and university ambassador for NVIDIA, Intel, Oracle Academy, and Wolfram, and serves as a consultant and active NSF and journal reviewer—roles that reflect his commitment to community training and research reproducibility. Notably, he combines hands-on code development with curriculum delivery, helping translate cutting-edge algorithms into teachable, production-ready software.
8 years of coding experience
Doctor of Philosophy - PhD, Physical Chemistry, Doctor of Philosophy - PhD, Physical Chemistry at Florida State UniversityAustralian National UniversityMaster of Science - MS, Nanotechnology and Nanochemistry, Master of Science - MS, Nanotechnology and Nanochemistry at University of TehranBachelor of Science - BS, Chemistry, Bachelor of Science - BS, Chemistry at Guilan University
Stackoverflow
1reputation
2kreached
0answers
1question
Github Skills (77)
cuda-toolkit10
orbital10
chemistry9
zenodo9
computational-chemistry9
quantum-chemistry9
physics9
heterogeneous9
quantum-computing8
python8
distributed-computing8
pytest8
gpu-programming8
ab-initio8
docking8
Programming languages (11)
Github contributions (5)
SinaMostafanejad/OpenRDM
Aug 2019 - Apr 2022
An ab initio library for strongly-correlated systems
Contributions:356 commits, 2 PRs, 512 pushes in 2 years 8 months
ab-initiostrongly-correlated-systems
MolSSI-Education/gpu_programming_beginner
Jan 2021 - Jan 2022
Fundamentals of heterogeneous parallel programming with CUDA C/C++ at the beginner level.
Contributions:4 releases, 6 reviews, 49 commits in 1 year
cuda-programmingnvidia-gpuopenclgpu-accelerationheterogeneous-parallel-programming
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