Welcome to my GitHub profile! I am passionate about advancing computational science with a special focus on quantum chemistry and machine learning. My work bridges the gap between physical modelling and data-driven approaches, aiming to make sense of complex molecular systems and enable new discoveries.
- Programming Languages: Python (main), experience with Bash and some Fortran, C++.
- Frameworks: JAX, PyTorch
- Expertise:
- Machine Learning Potentials (MLPs)
- Neural Network Wavefunctions
- Quantum Chemistry Simulations (DFT and classical MD)
- Interests:
- Computational Geometry
- 3D Graphics & Visualization
- Developing ML models for chemical and physical systems
- Exploring neural-network-based representations of quantum states
- Applying computational geometry to scientific visualisation and analysis
Thanks for visiting! If you share similar interests or want to collaborate, feel free to reach out or open an issue/discussion on one of my projects.