QM Research Scientist / Engineer (Staff / Principal)

You will:

• Empower the development of state of the art molecular FFs, MLPs, and QM methods, to achieve unparalleled accuracy in predicting potency and conformational landscapes of previously un-druggable targets.
• Utilize our cluster of 1,000s of GPUs and 10,000s of CPUs to build expansive QM training and test sets that achieve comprehensive coverage of chemical space.
• Benchmark and develop QM methods and basis functions to achieve an exceptional balance of accuracy and throughput.
• Work closely with our ML researchers, computational chemists, and medicinal chemists to validate and quickly deploy improvements to our ML/MD platform for our chemists' daily use on our internal drug programs and collaborations.

You have:

• A PhD, and a proven track record of using QM to push the accuracy of computational chemistry methods, ideally in drug discovery contexts.
• A strong understanding of non-covalent interactions (especially between organic molecules and with metals), many-body effects, and Nuclear quantum effects.
• A drive to build models that achieve state of the art performance at predicting experimental observables from purely QM foundations with minimal empirical correction.
• A skilled programmer, preferably in Python, such that you can quickly implement your research ideas and analyze their performance across our benchmark suite.

What we offer:

• The opportunity to work on challenging, high impact computational chemistry research that is immediately deployed to accelerate the discovery of new medicines.
• A world-class, tight-knit team of good-hearted people across software, machine learning, computational chemistry, medicinal chemistry, and biology.
• Competitive salary and equity. Medical, dental, and vision insurance, and a 401(k) program.