2AUK

Theoretical Chemistry PhD Student interested in molecular liquids and solvation properties Email: abdullah.ahmad@strath.ac.uk

University of StrathclydeGlasgow, Scotland

Pinned Repositories

aasol
Minimal Rust library for the Direct Inversion in the Iterative Subspace (DIIS) algorithm and its variants
Language:Rust4 1 00
ANM
Anisotropic Network Model implementation in Python
Language:Python1 0 10
array_expt
Implementing custom array/vec in Rust
Language:Rust1 1 00
CQCPP
C++ Computational Chemistry software designed mainly as a learning tool.
Language:C++0 2 00
dotfiles
Language:Lua1 1 00
ExperimentTools
Some tools for analysis, automation etc.
Language:Python1 0 00
MOZ
Molecular Ornstein-Zernike
Language:Rust4 2 00
pyRISM
Implementation of the Reference Interaction-Site Model (RISM) equation
Language:Rust15 3 53
SFED
3D Solvation Free Energy Distributions
Language:Python2 1 00
SimpleMD
Simple Molecular Dynamics implementation in C++
Language:C++2 0 01

2AUK's Repositories

2AUK/pyRISM
Implementation of the Reference Interaction-Site Model (RISM) equation
Language:Rust15 3 53
2AUK/aasol
Minimal Rust library for the Direct Inversion in the Iterative Subspace (DIIS) algorithm and its variants
Language:Rust4 1 00
2AUK/MOZ
Molecular Ornstein-Zernike
Language:Rust4 2 00
2AUK/SFED
3D Solvation Free Energy Distributions
Language:Python2 1 00
2AUK/SimpleMD
Simple Molecular Dynamics implementation in C++
Language:C++2 0 01
2AUK/ANM
Anisotropic Network Model implementation in Python
Language:Python1 0 10
2AUK/array_expt
Implementing custom array/vec in Rust
Language:Rust1 1 00
2AUK/dotfiles
Language:Lua1 1 00
2AUK/fock-rs
Restricted Hartree Fock in rust
Language:Rust1 0 0
2AUK/GeomAnalysis
C project for chemical geometry analysis
Language:C1 0 0
2AUK/gillan
Language:Jupyter Notebook1 1 0
2AUK/HF
SCF Implementation in python
Language:Python1 0 0
2AUK/ndarraycpp
testing nd array stuff in C++
Language:C++1 1 0
2AUK/Needleman_Wunsch
Language:C1 0 0
2AUK/PegasosSVC
Pedagogical
Language:Python1 0 0
2AUK/visualising_fun
Language:Rust1 1 0
2AUK/zero2prod
Working through Luca Palmieri's Zero To Production
Language:Rust1 1 0
2AUK/2AUK.github.io
Language:Ruby0 0 00
2AUK/cDFT
Classical Density Functional Theory
Language:Python0 0 00
2AUK/CQCPP
C++ Computational Chemistry software designed mainly as a learning tool.
Language:C++0 2 00
2AUK/CSCF
SCF code written in C
Language:C0 0 01
2AUK/custom_ndarray
Experimenting with custom ndarray implementation in Rust
Language:Rust1 0
2AUK/FreeSolv
Experimental and calculated small molecule hydration free energies
Language:Python0 0
2AUK/hexaRISM
Implementing https://doi.org/10.1080/08927022.2022.2096219
Language:Rust1 0
2AUK/mdft-dev_general
Language:Fortran0 0
2AUK/OrnsteinZernike
Ornstein-Zernike code in Rust
Language:Rust1 0
2AUK/oz_tut
IPython notebook tutorial for OZ equation
Language:Jupyter Notebook1 0
2AUK/RISM_tutorial
Jupyter Notebook for simple RISM implementation
Language:Jupyter Notebook1 0
2AUK/rismical
The reference interaction site model integrate calculator
Language:Fortran0 0
2AUK/toy_rism
Language:Rust1 0