Programming Languages: Python | C++ | Fortran |
Version Control: Git
Quantum Chemistry Softwares: Gaussian | PySCF | Avogadro | Fanpy | PyCI | ChemDraw |
Quantum Computing: Qiskit
| IBM Quantum Platform Application
Software Development and Accelerated Computing Training:
Fundamentals of Accelerated Computing with CUDA Python Course by NVIDIA.
Using Numba to compile CUDA kernels from NumPy universal functions | Using Numba to create and launch custom CUDA kernels | Applying key GPU memory management techniquesMolSSI Software Fellow Bootcamp at The Molecular Sciences Software Institute, VA. (July 24-29, 2022)
Object-Oriented Programming in Python
|Containerization
|Version Control
|Docker
|Continuous Integration
|Unit Testing with Pytest
|Pydantic
|Debugging with Sphinx