Who we areWe are a Québec-based startup helping pharmaceutical R&D teams understand reactions, de-risk scale-ups, and establish robust manufacturing through Quality by Design. Our technology enables chemical reaction modelling at the molecular level and automatically discovers reaction mechanisms and reaction pathways. MissionLead the development of DigitalFlask™, our chemical reaction simulation platform, involving algorithms to manipulate molecules in 3D space, distributed computing, density functional theory (DFT) workflows, and database usage. You will be responsible for generalizing the platform's capabilities to complex multicomponent reactions while handling the effects of solution concentration, stoichiometry, temperature, solvent, and reagent choice. You will validate the results against experimental results and iterate on the modelling approach.View a demo of DigitalFlask™: flask.digital OutcomesDevelop the capabilities of DigitalFlask™ to provide targeted services to the pharmaceutical industry.Lead the design of DigitalFlask™ extensions in terms of code structure and scientific validation.Identify sources of error and improve the modelling approach iteratively using the scientific method.Ensure high code coverage (90%+) through relevant unit and integration tests for all necessary code. RequirementsMSc or PhD in a relevant domain (chemistry, physics, or an adjacent scientific field).Over 5 years of experience in Python programming.Experience with software design, software architecture, object-oriented design patterns, and working in large codebases.Demonstrable experience with matter modelling (quantum computational chemistry, molecular dynamics, computational fluid dynamics, Monte Carlo methods, etc.).Understanding of organic chemistry.Canadian citizen or permanent resident. CompensationCAD $80,000 per year plus a variable bonus based on performance and company profits.