Science through Computation Initiative

Unlocking a new scale of scientific discoveries with interdisciplinary computational motifs

We are a group of 15 computational natural scientists working across Oxford, Cambridge, and London - united by a mission to accelerate scientific discovery through computational methods and tools. Founded in 2024, our collective brings together experts from chemistry, biology, computer science, and physics.

We focus on computational motifs – shared patterns and challenges that appear across scientific disciplines. By identifying and solving these core bottlenecks, we can create impact at scale, accelerating discovery across multiple fields simultaneously. This interdisciplinary approach allows us to spot opportunities that might be missed when working within traditional boundaries.

Our Mental Framework

Our approach systematically breaks down the scientific pipeline into three core components: exploration, collaboration, and experimentation, examining how computational advances can transform each stage. We analyze fundamental bottlenecks and identify computational solutions, developing both practical tools for immediate acceleration and novel algorithms that enable entirely new ways of conducting science.

Our approach to computational science

This dual focus - on both enhancing existing processes and pioneering new computational methodologies - allows us to work toward both immediate improvements and transformative breakthroughs in how computational science is conducted across disciplines.

We're Coming to San Francisco

This March, we're bringing our team to the Bay Area for a 2.5-day workshop focused on computational approaches to accelerating scientific discovery. Hosted by our good friends at pebblebed. Throughout the workshop, we'll share our insights into computational bottlenecks we've identified across scientific disciplines and demonstrate a suite of open-source tools we've developed for accelerating experimentation.

The workshop will combine presentations with hands-on hackathon sessions, creating space for immediate collaboration on ideas and tools. We're excited to connect with local academics and innovators working on similar challenges in computational science. We'll be sending out invitations soon. If you're working on computational approaches to accelerate scientific discovery and would like to join us, stay tuned for more details.

Who We Are

Interested in our work? We'd love to hear from you.

Wojtek Treyde

Co-lead

University of Oxford

Chemistry

Kieran Didi

Co-lead

University of Oxford

Biology

Jascha Achterberg

Co-lead

University of Oxford

Neuroscience

Rory Byrne

Lead-hacker

University of Cambridge

Neuroscience

Kristina Kordova

University of Cambridge

Biology

Michał Wójcik

University of Oxford

Neuroscience

Puria Radmard

University of Cambridge

Neuroscience

Eva Sevenster

University of Bristol

Neuroscience

Inga Van den Bossche

University of Oxford

Biology

Austin Mroz

Imperial College London

Chemistry

Dan Akarca

Imperial College London

Neuroscience

Jakub Lála

Imperial College London

Biology

Martin Buttenschoen

University of Oxford

Biology

Filip Szczypiński

Durham University

Chemistry

Aleksy Kwiatkowski

University of Oxford

Chemistry

Jonathon Langford

Imperial College London

Physics