Senior Scientist - Computational Materials Science

The Computational Materials Science Scientist will apply state-of-the-art computational chemistry and crystallographic tools to predict the solid-state and particle properties of small molecules to streamline experimental efforts and to design better medicines. This will enable project teams to de-risk their programs and to move rapidly into clinical studies with the goal of commercialization. The role is highly collaborative, requiring extensive work on multi- disciplinary project teams. With this role there is opportunity to develop novel computational methods, addressing gaps in our current knowledge and capabilities.Responsibilities:Apply state-of-the-art physics based computational approaches to predict the properties and performance across range of molecules.Conduct crystal structure prediction (CSP) calculations and free energy calculations for polymorph stability ranking.Utilize various physics/informatics (i.e. molecular simulations, density functional theory, H- bonding propensity analysis, full Interaction map) based computational tools for design and derisking of commercial solid form.Develop and apply physics/ML-AI based computational tools to investigate and understand the particle properties, surface and performance.Participate on multidisciplinary project teams and collaborate with colleagues to define and recommend follow up screening and characterization strategies to complement computational studies according to project timelines.Oversee the work of external partners conducting computational analyses and provide tactical guidance and critical analysis of their work.Solve scientific problems using contemporary solid state computational techniques.Lead the development of new scientific approaches and knowledge within the Material Sciences organization. This is an individual contributor rol