Welcome to my space!
I am a Masters student, interested in Method Development Computational ChemistryProjects
QChember
A computational chemistry package, mostly built for fun, as a optimization and testing code base. Currently capable of performing Hartree-Fock calculations in any basis (supported in Basis Set Exchange) and geometry. In active development.Link to Internal Git Server (if you are interested, please email me)
libgemm
Acceleration of conventional matrix-matrix multiplication using low-precision approximations (using Ozaki Scheme I and II). The project provides a simple C/C++ CUDA interception library to remap selected BLAS Level 3 GEMM (General Matrix-Matrix Multiplication) to Ozaki Scheme Code.The project also provides a PySCF python patched code to selectively enable interception of explicit GEMM calls leaving LAPACK internal GEMM calls intact.
Link to GitHub Link to Ozaki Scheme I Paper Link to Ozaki Scheme II Paper
rsla
Provides high-level linear algebra wrappers for configurable backends (Armadillo C++ and MPLAPACK, currently supported). Built as a test library for arbitrary precision linear algebra for scientific numerical algorithms.Link to GitHub (Private) (if you are interested, please email me)
wsp2j
Web Scraping Project for Java version 2 (wsp2j). Provides a minimal robust utility to monitor website changes using continious hashing with the help of the JSoup library.Link to GitHub
superpermutation
An old project which explored generating superpermutations for N > 3 in Java.Link to GitHub
Hosted Services
| Host | Service |
|---|---|
| StormChaser | Internal Git Server |
| StormChaser | Jenkins Build Server |