Hexalence is looking for an experienced scientific programmer/research software engineer to join our early-stage startup as full-time employee #2 (fully remote). We are looking for someone with a MSc or PhD in a relevant domain (chemistry, physics, etc.) and demonstrable experience in scientific programming. This is your chance to shape the future of a fast-growing startup!

Who we are: We 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. View our website for more details: hexalence.com

Mission: To lead the development of the Digital Flask, 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 to generalize the platform’s capabilities to complex multicomponent reactions while handling the effects of solution concentration, stoechiometry, temperature, solvent and reagent choice. You will validate the results with experimental results and iterate on the modelling approach. You can view a demo of the Digital Flask at https://flask.digital.

Outcomes:
– Developing the capabilities of the Digital Flask in order to provide targeted services to the pharmaceutical industry
– Lead the design of extensions of the Digital Flask in terms of code structure and scientific validation
– Identify the sources of error and improve the modelling approach iteratively using the scientific method
– Ensuring high code coverage (90%+) by relevant unit and integration tests for all necessary code

Requirements:
– MSc or PhD in a relevant domain (chemistry, physics or 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

Compensation:
– 80,000$ + variable bonus based on performance and company profits