Molecular rendering (Unsplash @dkoi)

Research Interests

My research interests cover the intersection of chemistry with data science, machine learning, and robotics. I seek to enable discovery by developing new methods, models, and ideas that expand how we search for and understand chemical systems.

  • Digital Discovery Strategies
    Developing machine learning methods for the exploration and exploitation of chemical search spaces, with a focus on fostering curiosity and serendipity.
  • Earth-Abundant d-Block Chemistry
    Exploring the structures, reactivity, and properties of systems containing first row transition metals.
  • Self-Driving Laboratories
    Assembling systems that integrate robotics and machine learning for closed-loop material discovery, and investigating the interactions between human and AI agents.
  • Deconvolution of Chemical Mixtures
    Applying machine learning to interpret analytical data and visualise meaningful relationships within mixtures with high compositional diversity.
  • Digitisation of Chemical Synthesis
    Creating interpretable and generalisable representations of synthetic data for machine learning.

Technical Publications

Automated Library Generation and Serendipity Quantification Enables Diverse Discovery in Coordination Chemistry
Kowalski, MacGregor, Long, Bell, Cronin
J. Am. Chem. Soc. 2023, 145(4), pp.2332

An Autonomous Chemical Robot Discovers the Rules of Inorganic Coordination Chemistry without Prior Knowledge
Porwol, Kowalski, Henson, Long, Bell, Cronin
Angew. Chem. Int. Ed. 2020, 59(28), pp.11256

Presentations

My research interests cover the intersection of chemistry with data science, machine learning, and robotics. I seek to enable discovery by developing new methods, models, and ideas that expand how we search for and understand chemical systems.

Invited Presentations

  • Tanoue, Kowalski; "Incorporating the Assistant Language Teacher in the Junior High School Textbook Lesson", Kumamoto ALT Skills Development Conference 2025, November 27th 2025, Kumamoto, Japan

Contributed Presentations

  • Kowalski, MacGregor, Long, Bell, Cronin; "Digitising discovery workflows in coordination chemistry", ACS Fall 2022, August 23rd 2022, Chicago, USA
  • Kowalski, Bell, Cronin; "Automated Synthesis of Coordination Complexes", RSC Scottish and North of England Dalton Division Meeting, August 21st 2021, Flash Presentation, [Online]

Poster Presentations