Name: Abdullah Ahmad
Type: User
Company: University of Strathclyde
Bio: Theoretical Chemistry PhD Student interested in molecular liquids and solvation properties
Email: [email protected]
Twitter: 2AUK_C
Location: Glasgow, Scotland
Abdullah Ahmad's Projects
Minimal Rust library for the Direct Inversion in the Iterative Subspace (DIIS) algorithm and its variants
Anisotropic Network Model implementation in Python
Implementing custom array/vec in Rust
Statistical models of liquids
Classical Density Functional Theory
C++ Computational Chemistry software designed mainly as a learning tool.
SCF code written in C
Experimenting with custom ndarray implementation in Rust
Some tools for analysis, automation etc.
Restricted Hartree Fock in rust
Experimental and calculated small molecule hydration free energies
C project for chemical geometry analysis
Implementing https://doi.org/10.1080/08927022.2022.2096219
SCF Implementation in python
Molecular Ornstein-Zernike
testing nd array stuff in C++
Ornstein-Zernike code in Rust
IPython notebook tutorial for OZ equation
Pedagogical
Implementation of the Reference Interaction-Site Model (RISM) equation
Jupyter Notebook for simple RISM implementation
The reference interaction site model integrate calculator
3D Solvation Free Energy Distributions
Simple Molecular Dynamics implementation in C++