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).
Since my undergraduate studies, I have worked in industry as a software engineer and machine learning researcher, contributing to software and 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 across organic, inorganic, and biomolecular domains.
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 reading literature, philosophy, and science, particularly classic works, as well as Persian poetry. I am also learning French, with Spanish as a future goal. I have a background in martial arts, having trained in Muay Thai and Judo, and retain a broad interest in the discipline more generally.