Senior Researcher- Computational Chemistry - Microsoft Research AI for Science

Job Description

Overview

Deep learning has only just started its transformative impact on the natural sciences. In Microsoft Research we are working to solve some of the fundamental challenges in the molecular sciences with AI.

For our lab in Cambridge, UK, Amsterdam, NL, or Berlin, DE, we are seeking Computational Chemistry Researcher candidates to work at the intersection of chemistry, computation and AI to solve major scientific challenges. If you are passionate about this research area and believe you can make a lasting impact, we would love to receive your application.

Microsoft’s mission is to empower every person and every organization on the planet to achieve more, and we’re dedicated to this mission across every aspect of our company. Our culture is centered on embracing a growth mindset and encouraging teams and leaders to bring their best each day. Join us and help shape the future of the world.

This post will be open until the position is filled. When submitting your application, include your CV with a list of publications as an attachment.

Responsibilities

Contribute to and drive an ambitious, high-impact, research agenda in AI for chemistry.
Use your expertise to run QM calculations and/or MD simulations, develop and evaluate models & methods and create new training and testing datasets.
Write scripts and code to handle, process and analyze small and large chemical datasets.
Work with internal and external partners to deploy and evaluate models and workflows.
Prepare technical papers, presentations, and open-source releases.
Working on a day-to-day basis with an international and interdisciplinary research team on one overarching research goal.

Qualifications

Required:

Track record in Computational Chemistry/Physics, Quantum Chemistry, Digital Chemistry, or related field, as evidenced by a PhD or similar research experience.
Strong understanding of Quantum Chemistry, Molecular Simulations and/or Chemoinformatics, including applications and limitations.
Publication record in relevant Chemistry journals and/or ML conferences.
Experience in Python coding, ideally demonstrated by published software projects (e.g., github).
Preferred:

Experience with enhanced sampling methods such as Metadynamics, replica-exchange, reweighting methods and transition path sampling methods.
Experience in systematically analyzing MD data, e.g., free energy calculations and Markov state modeling.
Experience with running Quantum Chemistry programs.
Experience with analysing and working with large chemical datasets.
Experience working with or developing machine learning potentials.

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.