Skip to content
View leseixas's full-sized avatar
🎯
Focusing
🎯
Focusing
28 followers · 64 following

Organizations

@seixas-research @seixas-solutions @seixas-fun @seixas-teaching

Block or report leseixas

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Content in all repositories owned by your account will be closed.
Maximum 250 characters. Please don’t include any personal information such as legal names or email addresses. Markdown is supported. This note will only be visible to you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
leseixas/README.md

Leandro Seixas Rocha, PhD


Physics + Machine Learning + Software Development


Machine Learning Engineer & Researcher with a Ph.D. in Physics and 10+ years of international R&D experience (Brazil, US, Singapore). Specialized in AI for Science and Scientific Machine Learning (SciML), bridging deep learning (GNNs, Neural Operators) with physics-based modeling to accelerate large-scale simulations and high-throughput workflows. Proficient in Python, PyTorch, C++, and HPC environments, with a proven track record of designing open-source scientific software, deploying end-to-end ML pipelines, and leading multidisciplinary engineering and research initiatives.

Python | C++ | PyTorch | scikit-learn | XGBoost | Optuna | Neural Operators | Interpretable ML | Symbolic regression | Machine Learning Interatomic Potentials (MLIP) | Graph Neural Networks (GNNs) | NumPy | SciPy | Pandas | PyPI | GitHub | ASE | DFT | VASP | SIESTA | Quantum ESPRESSO | GPAW | ORCA | Linux | MPI | Slurm | HPC


Projects

The projects I have created and am developing are separated into the following categories:

Seixas Teaching Seixas Research Seixas Solutions Seixas Fun
Courses and teaching materials Research code and simulations Consulting and applied projects Games and personal projects

Profiles


Pinned Loading

  1. seixas-research/poraque seixas-research/poraque Public

    For electronic structure calculations with neural operators

    Python 3

  2. seixas-research/mandacaru seixas-research/mandacaru Public

    Everything you need for fermionic quantum simulation

    Python 4

  3. seixas-research/calango-studio seixas-research/calango-studio Public

    For visual atomistic modeling

    C++ 4

  4. seixas-research/quasigraph seixas-research/quasigraph Public

    Graph-like chemical and geometric descriptor toolkit for studying materials with machine learning models.

    Python 3 1