Background
I am Amir Masoud Nourollah (Masoud), a PhD student in the School of Computer Science and Informatics at Cardiff University, where I am part of the Cardiff NLP and Knowledge Representation and Reasoning groups. I started my PhD in 2024.
Having explored programming languages and the GNU/Linux ecosystem for nearly two decades, I have developed a foundational interest in systems and software development that predates my formal studies. My academic background spans both chemistry and computer science. I studied Chemistry (2016–2020) before moving into Computer Science, completing a Master’s degree focused on artificial intelligence and robotics (2020–2023).
Before starting my PhD, I worked in industry as a software engineer and machine learning researcher, contributing to AI teams across different companies and projects. My experience spans computer vision, speech processing, and natural language processing. Alongside research, I remain focused on engineering practices, infrastructure, and open-source software.
Research
Broadly, I am interested in scientific machine learning (SciML), particularly for chemistry and molecular systems.
My research focuses on generalisation, interpretability, and explainability in machine learning models for scientific applications. Currently, I am investigating how machine learning models behave under distribution shifts and across chemically diverse systems, with a particular focus on molecular dynamics and computational chemistry.
More generally, I am interested in robust, interpretable methods for chemistry-oriented AI systems and Neural Rendering & Simulation.
Other Interests
Outside of research, I enjoy studying languages, reading history and philosophy, and exploring programming languages and Linux systems. I am currently learning French and German, alongside a long-standing interest in Persian and English literature. A practitioner of martial arts, I have a background in Muay Thai and Judo.