Gabriele Tocci
Computational Scientist
Zurich, Zurich, Switzerland
Summary
👤
Senior🎓
Top SchoolGabriele Tocci is a Computational Scientist and Senior Machine Learning Engineer with 11+ years of R&D experience building scalable AI and HPC solutions across Microsoft Quantum, University of Zurich, EPFL and UCL. He specializes in integrating advanced deep learning models—especially equivariant graph neural potentials like NequIP and Allegro—directly into physics-based workflows and production-grade simulation engines such as CP2K. Gabriele has led large HPC projects (securing multi-million CPU-hour allocations), optimized multi-GPU Azure HPC and cloud-native ML pipelines, and contributed merged improvements to CP2K to accelerate ML interatomic potential inference. His stack spans PyTorch (Python/C++), CUDA/MPI, RAPIDS, and low-level languages (C/C++, Fortran), and he recently earned NVIDIA certification in Accelerated Data Science. Beyond academia-to-industry transitions, he is applying stochastic calculus and advanced ML generalization techniques to time-series backtesting and exploring local LLM inference on GPU edge devices.
11 years of coding experience
8 years of employment as a software developer
Data Science Bootcamp, Data Science, Data Science Bootcamp, Data Science at Constructor NexademyLiceo ScientificoEnergy Engineering, Energy Engineering at Sapienza Università di RomaUniversity College London
English, Italian
Github Skills (38)
simulation10
quantum-chemistry10
dft10
materials-informatics10
chemistry10
api10
physics10
trading9
python9
hpc9
binance9
automated-trading9
exchange9
cryptocurrency9
quantum-computing9
Programming languages (4)
Github contributions (5)
gabriele16/cp2k
Oct 2022 - Apr 2025
Quantum chemistry and solid state physics software package
Contributions:23 PRs, 349 pushes, 6 branches in 2 years 6 months
physicschemistryquantum-computingsolid-state-physicssolid-state
cosmo-epfl/gromacs-cosmo
Mar 2015 - Apr 2017
Contributions:96 commits, 81 pushes, 4 branches in 2 years 1 month
gromacscosmo
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