[Job-offers-cs] Postdoc position in GenAI for drug discovery

Pekka Orponen pekka.orponen at aalto.fi
Sat Jan 24 23:22:10 EET 2026


A big ask: please circulate this as broadly as you can. We’re hiring for 
AI/ML, but most of our immediate network is in quantum computing, so 
we’d be grateful for introductions or forwarding to relevant communities.

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We invite applications for classical and quantum machine learning, as 
part of a collaborative research initiative[1] between Duke-NUS and the 
Centre for Quantum Technologies (CQT). The project benefits from access 
to both leading experts in the field and advanced quantum computing 
infrastructure, including recent partnerships[2] with leading industry 
players.

The successful candidate will work within a multidisciplinary team that 
combines classical and quantum algorithm design, software 
implementation, and applications in drug discovery and molecular 
modelling. The research will contribute to the development of both 
quantum and/or classical algorithms, supported by robust, 
production-grade implementations — with selected molecular candidates 
proceeding to experimental synthesis and validation in wet-lab settings.

More information: https://luongo.pro/openings/>

Duration: 1+1 years. Location: Singapore. Starting date: (tentative) 
June 2026
We are looking for a researcher with demonstrated excellence in machine 
learning, showcasing potential to collaborate with quantum scientists. 
The ideal candidate has:
- A strong publication record that reflects both theoretical depth and 
conceptual clarity, including the ability to develop and communicate 
mathematical proofs, and to engage effectively in whiteboard-level 
reasoning and problem-solving.
- Solid experience with PyTorch (and ideally Lightning), together with 
the ability to design, implement, and train neural network models to 
solve concrete problems, producing code that is clean, reliable, and 
reproducible.
- Interest in tackling open problems in computational biology and drug 
discovery.

===========

[1] https://www.duke-nus.edu.sg/daisi/research/ai-quantum
[2] 
https://www.cqt.sg/highlight/2024-07-singapore-quantinuum-quantum-computing
[3] 
https://www.quantinuum.com/press-releases/singapore-inks-mou-with-quantinuum-enabling-access-to-their-advanced-quantum-computer



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