Senior Researcher/Engineer: AI for biomolecular modelling and simulation

Job ID: 200064325Posted: 2026-10-29Location: United Kingdom, Cambridgeshire, CambridgeEmployment type: Full-TimeWork site: 3 days / week in-officeRole type: Individual ContributorTravel: Less than 25%Profession: Research, Applied, & Data SciencesDiscipline: Research SciencesCompany: MicrosoftOverviewThe Human Genome Project made human protein sequences accessible at scale; AlphaFold did the same for structure prediction. But our understanding biomolecular function is still in its infancy, limiting our ability to develop safe, effective medicines.Our aim is to solve biomolecular function at scale. To do so, we develop AI emulators that model how biomolecules change structure and form complexes, how they interact with drug molecules and nucleic acids, how they change over time and catalyze reactions.

Our vision is to simulate molecular processes from the ground up, with quantum chemical accuracy, and using AI to generate orders-of-magnitude higher throughputs than traditional simulation or experimentation. Some of our recent models include BioEmu1, BioEmu2, RetroChimera and Skala.We invite you to join us on this mission. We are seeking candidates with backgrounds in Machine Learning, Computational Chemistry, Physics or Biology.

You will be working in a highly dynamic and interdisciplinary team, developing models, algorithms and helping to orchestrate large-scale data generation campaigns and training runs. If you are passionate about this research area and believe you can make a lasting impact, we would love to receive your application.This post will be open until the position is filled. When submitting your application, include your CV with a list of publications and other scientific or engineering contributions such as references to developed software.ResponsibilitiesContribute to and drive a high-impact, research agenda development on machine learning in the molecular sciences.Develop strategies for integrating large-scale heterogeneous model data from molecular simulation and laboratory experiments and identifying untapped data sources.Write research code to test new approaches or develop novel theoretical and practical insights.Prepare technical papers and presentations.Working on a day-to-day basis with an international and interdisciplinary research team on one overarching research goal.Being fully committed to one research project that may take several years to come to fruition and prioritizing team success over individual research interests.QualificationsRequiredExperienced in Python software development with object-oriented design and basic deployment, ideally demonstrated by published software projects (e.g., github).Experienced in developing and implementation of deep learning systems (e.g., in PyTorch or JAX) and agentic software design and testing.Experienced in modelling or simulation of molecules, ideally biomoleculesHigh-quality publications in leading disciplinary or interdisciplinary venues or demonstrated leadership in software development.

PreferredExperience with protein science, bioinformatics, biophysics or computational Chemistry.Understanding of computational statistics and experience with generative model development (e.g., diffusion or flow-models).Experience in method development for molecular dynamics and statistical mechanics.Track-record of developing and optimizing novel deep learning architectures.Research Sciences IC4 - The typical base pay range for this role across United Kingdom is 74,700.00 - 122,600.00 per year. Certain roles may be eligible for benefits and other compensation. Find additional benefits and pay information here:Research Sciences IC4 - The typical base pay range for this role across Germany is 90,100.00 - 152,500.00 per year.

Certain roles may be eligible for benefits and other compensation. Find additional benefits and pay information here:Research Sciences IC4 - The typical base pay range for this role across Netherlands is 78,800.00 - 133,300.00 per year. Certain roles may be eligible for benefits and other compensation.

Find additional benefits and pay information here:Research Sciences IC4 - The typical base pay range for this role across United Kingdom is 74,700.00 - 122,600.00 per year. Certain roles may be eligible for benefits and other compensation. Find additional benefits and pay information here:This position will be open for a minimum of 5 days, with applications accepted on an ongoing basis until the position is filled.Microsoft is an equal opportunity employer.

All qualified applicants will receive consideration for employment without regard to age, ancestry, citizenship, color, family or medical care leave, gender identity or expression, genetic information, immigration status, marital status, medical condition, national origin, physical or mental disability, political affiliation, protected veteran or military status, race, ethnicity, religion, sex (including pregnancy), sexual orientation, or any other characteristic protected by applicable local laws, regulations and ordinances. If you need assistance with religious accommodations and/or a reasonable accommodation due to a disability during the application process, read more about requesting accommodations.