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Mohammad Mostafanejad

Mohammad Mostafanejad

Dr. Mohammad (Sina) Mostafanejad is the lead software scientist in high-performance computing (HPC) education, artificial intelligence (AI) and machine learning (ML) at the Molecular Sciences Software Institute (MolSSI). As the founder of the MolSSI Industrial Training Program, Sina has collaborated with industry leaders such as NVIDIA and Intel as a certified instructor and delivered dozens of intermediate and advanced workshops to more than 150 students, faculty and researchers in academia, national laboratories and industry between November 2021 and August 2023.

Sina’s current research activities focus on the theory and applications of AI and ML in computational molecular science (CMS), with a particular interest in artificial neural networks and deep learning. On the software development side, Sina is leading the efforts on the standardization, curation, generation and democratization of community-wide datasets and benchmarking the performance of novel and existing data-driven models in chemistry at the MolSSI.

Sina has been a long-time user of Wolfram Mathematica and has extensively used it for his past research in developing high-precision electronic structure methods and current research focusing on the realization of the new AI algorithms. In collaboration with the Wolfram U team, Sina plans to demonstrate the usefulness of this powerful software ecosystem to other computational molecular scientists by developing intermediate and advanced educational materials and delivering a wide range of workshops within the MolSSI Industrial Training Program.


The Molecular Sciences Software Institute; Virginia Tech


PhD in Physical Chemistry, Florida State University


English, Persian


Reading, amateur playing and composing for violin and calisthenic workouts