Senior Researcher in Computational Chemistry (Quantum)

Key Skills

Java Programming, Python Programming, C++, C Programming, SQL, Cloud computing, Scala Programming, Machine learning techniques, Data science techniques, MATLAB Programming, PyTorch, TensorFlow, R Programming

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, computational chemistry, material science, quantum physics, molecular biology, fluid dynamics, software engineering, and other disciplines, who are working together to tackle some of the most pressing challenges in this field.

For our lab in Amsterdam, we are seeking Senior Researcher candidates in the area of Computational Chemistry. The successful applicant is expected to contribute to a program of research in the development of machine-learning-based methods for quantum chemistry, with a focus on density functional theory and other computationally affordable (but in principle exact) many-electron methods that have the potential to transform the predictive power of quantum simulations of molecules and materials. This is an exceptional opportunity to drive ambitious research in a highly collaborative, diverse and global team of other researchers and engineers, to push the state of the art in deep learning for the natural sciences.

Responsibilities

• Contribute to and drive an ambitious, high-impact, research agenda in principled machine-learning methodologies for Quantum Chemistry within the context of a highly collaborative research culture.?
• Develop and test out new ideas within existing or new collaborations
• Write research code to test new approaches or develop novel theoretical and practical insights
• Prepare technical papers, presentations and open-source releases of research code.?

Qualifications

• PhD in computational chemistry, computational condensed matter physics, computer science, or related area
• A research program demonstrated by publications in relevant top-tier publication venues (e.g. JCP, JPCL, JCTC, PRL, JACS, Angew. Chem, Nat. Chem).
• Experience with code development in python
• Strong understanding of state-of-the-art density functional theory (DFT) and/or ab initio methods, including their implementation and limitations.
• Preferred: understanding of deep learning and its applications to molecular modelling.
• Hands-on experience in implementing new methods in quantum chemistry/electronic structure codes (DFT and/or ab-initio), e.g., PySCF, Orca, Molpro, QuantumPackage, Turbomole, etc.
• Preferred: hands-on experience with deep learning applied to molecular modelling.
• Passion to see research have real-world impact on key challenges for society. 
• Demonstrable ability to work in an interdisciplinary collaborative environment, evidenced by effective communication of technical concepts to non-experts from different technical backgrounds.?

Read more about AI4Science:?

AI4Science Web Site Microsoft Research AI4Science - Microsoft Research?

AI4Science Blog AI4Science to empower the fifth paradigm of scientific discovery - Microsoft Research

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.

Benefits/perks listed below may vary depending on the nature of your employment with Microsoft and the country where you work.

Benefits and Perks

• Industry leading healthcare
• Savings and investments
• Giving programs
• Educational resources
• Maternity and paternity leave
• Opportunities to network and connect
• Discounts on products and services
• Generous time away