Principal QM Research Scientist / Engineer
Skills
BiologyComputational ChemistryDrug DiscoveryStatistics
What the job involves
The main requirements, responsibilities and hiring steps.
Requirements
- 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
Day to day
- 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 undruggable 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