Senior Researcher - Machine Learning for Molecules

Key Skills

Java Programming, Python Programming, C++, C Programming, SQL, Scala Programming, Machine learning techniques, Deep Learning, CUDA kernels, Star schema, NeurIPS, MS Dynamics

Job Description

Over the coming decade, deep learning looks set to have a transformational impact on the natural sciences. The consequences are potentially far-reaching and could dramatically improve our ability to model and predict natural phenomena over widely varying scales of space and time. Our AI4Science team encompasses world experts in machine learning, quantum physics, computational chemistry, molecular biology, fluid dynamics, software engineering, and other disciplines, who are working together to tackle some of the most pressing challenges in this field. We are looking for talented people to join us.

For our lab in Berlin, Germany, we are seeking exceptional Senior Researcher candidates in the areas of Machine Learning for Quantum Chemistry and/or Molecular Dynamics. The successful applicant is expected to contribute to a program of research in the development of machine-learning-based ab-initio methods, sampling methods and coarse-graining methods that have the potential to transform how we simulate quantum and classical properties of molecules. This is an exceptional opportunity to drive ambitious research in a highly collaborative, diverse and global team of other researchers and engineers, and to push the state of the art in machine learning learning for molecular modelling.

There is no closing deadline for this post. The post will be filled once suitable candidates are found so if you are interested, please apply as soon as possible. When submitting your application, include your CV with a list of publications as an attachment.

Candidates are sought from a range of seniorities, after their PhD has been completed, with postdoctoral experience or early group leader / assistant professor level.

Read more about AI4Science:

Responsibilities

• Contribute to and drive an ambitious, high-impact, research agenda development of machine-learning systems for Quantum Chemistry, sampling molecular configurations and molecular coarse-graining within the context of a highly collaborative research culture.

  • Develop and test out new ideas within existing or new collaborations within a project or the wider research group. 

  • Write research code to test new approaches or develop novel theoretical and practical insights.

  • Prepare technical papers and presentations.

  • Optionally (for more senior candidates): leading research projects, acting as manager for other researchers.

Qualifications

Qualifications & Skills:

• Experience in self-directed research in machine learning, ideally applied to the domain of molecular sciences, demonstrated by a completed PhD.
• Specialization in either (i) Machine Learning / Deep Learning with or (ii) in an application domain such as Quantum Chemistry or Statistical Mechanics, and at least basic knowledge in the respective other area.
•  A research program demonstrated by publications in relevant top-tier publication venues in the candidates field (e.g., conferences such as NeurIPS, ICML, ICLR or journals such as JCP, JCTC, PRL, JACS, Nat. Chem. etc).
• Experience with Python and deep learning frameworks (PyTorch, JAX or TensorFlow). Additional experience with C, C++, CUDA, Scala, Fortran etc. is advantageous.
• Strong understanding of state-of-the-art deep learning approaches for molecules. Preferably in-depth experience with molecular dynamics and/or quantum chemistry methods.
• Hands-on experience in implementing and evaluating machine learning approaches for molecular problems.
• Passion to see research have real-world impact on key challenges for society. 
• Innovative thinker who should be able to take initiative but can also follow a research plan and work well as part of a multi-disciplinary, global team.
• Highly effective written and verbal communication skills, fluent in English. 
• Optionally (for more senior candidates): experience with defining research projects and supervision.

Microsoft is an equal opportunity employer. All qualified applicants will receive consideration for employment without regard to age, ancestry, color, family or medical care leave, gender identity or expression, genetic information, marital status, medical condition, national origin, physical or mental disability, political affiliation, protected veteran status, race, religion, sex (including pregnancy), sexual orientation, or any other characteristic protected by applicable laws, regulations and ordinances. We also consider qualified applicants regardless of criminal histories, consistent with legal requirements. If you need assistance and/or a reasonable accommodation due to a disability during the application or the recruiting process, please send a request via the