Usman Ahmed
Quantum Chemist - Software Developer
About
Combining over five years of experience in computational quantum chemistry with a strong background in high-performance computing, I have expanded my expertise into software development, machine learning, and quantum computing. Passionate about HPC software development, I am actively honing my programming skills to contribute to cutting-edge advancements in these dynamic fields.
Skills
Work Experience
University of HelsinkiFull-time
PhD in Computational Quantum Chemistry
Psi4 - An open-source quantum chemistry softwarePart-time
Contributor
GK College LahoreFull-time
Chemistry Teacher
Education
University of Helsinki
Hive Helsinki
University of Eastern Finland
Projects
Scientific Programming
The project features C++ implementations of essential quantum chemistry algorithms, including Hartree-Fock and post Hartree-Fock methods. It leverages the Eigen library for efficient linear algebra operations and handles high-dimensional matrices with optimized performance, providing a foundation for advanced computational chemistry methods.
Ftl-Quantum
Ftl_quantum is aimed at providing a hands-on introduction to quantum programming and computing concepts. This repository includes core concepts, exercises, and code for running quantum programs on IBM's Qiskit platform.
MCPT-MonteCarloPhotonTransport
The project simulates photon transport through water using a Monte Carlo algorithm in C++. It models the interaction of photons with water media to analyze their trajectories, energy loss, and scattering.
MLP-MultilayerPerceptron
Multilayer Perceptron (MLP) project using Python and numpy only (no shortcut libraries) to implement a basic feedforward neural network with backpropagation for supervised learning. Built for the 42 School curriculum.
DSLR-LogisticRegression
A Python-based project from 42 School that implements logistic regression to analyze and classify data, focusing on understanding machine learning concepts and statistical analysis. Model is written with Numpy and no other ML library.
webserv
Webserv is a HTTP server implementation in C++ that follows the HTTP/1.1 protocol. This project is part of the 42 School curriculum, inspired by Nginx, and aims to provide a deeper understanding of how web servers function at a low level. It includes handling basic HTTP methods, managing client requests, serving static files, and generating dynamic responses. The goal is to create a scalable, modular, and non-blocking web server that meets the standards of modern web servers.
cub3D
Cub3D is a 3D game engine that draws inspiration from the iconic game Wolfenstein 3D. Its purpose is to depict a labyrinth-like setting and emulate a first-person viewpoint, offering a captivating gaming experience. The project is coded in the C programming language and makes use of the MLX42 library.
minishell
Minishell, implemented in C and leveraging Unix system calls, mimics the functionality of the bash shell. It enables users to execute programs, manage environment variables, utilize redirections and pipes, and perform built-in command operations.
philosophers
philosophers is a Go language project that tackles the Dining Philosophers Problem in computer science using multithreading. Having previously implemented this problem in C, I decided to re-implement it in Go as part of my learning process. The project focuses on preventing deadlocks and effectively managing resource conflicts.
Publications
- U. Ahmed, C. D. Daub, D. Sundholm and M. P. Johansson, Attractive acceptor-acceptor interactions in self-complementary quadruple hydrogen bonds for molecular self-assembly, Phys. Chem. Chem. Phys., 2024. doi: https://doi.org/10.1039/D4CP02361G open access
- U. Ahmed, D. Sundholm and M. P. Johansson,The effect of hydrogen bonding on the π depletion and the π −π stacking interaction, Phys. Chem. Chem. Phys., 2024. doi: https://doi.org/10.1039/D4CP02889A open access
- U. Ahmed, M. P. Johansson, S. Lehtola and D. Sundholm, Density functional benchmark for quadruple hydrogen bonds, Phys. Chem. Chem. Phys., 2025. doi: https://doi.org/10.1039/D5CP00836K open access
Courses & Certifications
GPU Programming: Why, When and How?Certification
High-Level GPU ProgrammingCertification
Big Data Analytics SpecializationCertification
Practical Deep LearningCertification
Fundamentals of Deep LearningCertification
Convolutional Neural NetworksCertification
C++ Tutorial for Complete BeginnersCertification
Go - The Complete GuideCertification
