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HF SCF programme written in Rust (for educational purpose)

License: GNU General Public License v3.0

Rust 15.64% Python 1.69% Jupyter Notebook 82.65% Makefile 0.02%
hartree-fock quantum-mechanics rust rust-lang theoretical-chemistry

scf_mrjd_rs's Introduction

Hi 👋, I'm Martin

A theoretical, computational chemistry student using Python, C++, Rust, (sometimes) MatLab and some C

martinrjdagleish

martinrjdagleish

  • 🌱 I’m currently learning . . .
    • PHPC (Parallel and High Performance Computing) for scientific computation (utilizing C/C++ with OpenMP and MPI)
    • Rust:
      • to write my own quantum chemistry programme from scratch
      • for a safer and better development experience in comparison to C++
    • C++ as a 'low-level' high-performance computational language
    • TACO for general tensor contraction and computation
  • 🔭 I’m currently working on ...
    • my progamming skills for various languages and applications

Connect with me:

https://www.linkedin.com/in/martin-dagleish-0b7229156/

Languages and Tools:

rust latex linux bash python sympy pandas git cplusplus

martinrjdagleish

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