At Microsoft Research AI for Science we believe deep learning has the potential to transform scientific modelling and discovery crucial for solving the most pressing problems facing society, including sustainable materials and discovery of new drugs.
We seek a highly motivated research software engineer to join our density functional theory (DFT) team. The mission of the team is to enable highly accurate and scalable predictions of the energy and density of electrons in molecules and materials with deep learning powered DFT. Accurately computing the electron energy is essential for predictive modelling of laboratory experiments across a broad spectrum of applications, including assessing whether a chemical reaction will proceed, whether a candidate drug molecule will bind to its target protein, whether a material is suitable for carbon capture, or if a flow battery can be optimized for renewable energy storage. By advancing the capabilities of deep-learning-based DFT simulations through state-of-the-art numerical algorithms, GPU acceleration and integration of our models in highly performant DFT software frameworks, you will help unlock new frontiers in materials science, catalysis, and beyond.
This post will be open until the position is filled.