Location: Bay Area, California, USA
Company: Berkeley Lab’s
Job Position: Materials Software Developer
JOB DESCRIPTION:
Qualification:
Education & Experience
Bachelor’s degree preferred in materials science, physics, chemistry, engineering or relevant field
- A minimum of 5 years of experience in first-principles simulations, scientific high-performance computing, and collaborative open-source software development or 3 years of experience and a Master’s degree preferred, or equivalent work experience.
- Past experience in first-principles modeling of inorganic materials (primarily using DFT codes such as VASP)
- Experience in development of workflows for using first-principles modeling in an automated, high-throughput manner for calculation of properties of materials, preferably using Materials Project software stack
- Advanced object-oriented programming in Python as well as accompanying scientific libraries
- Experience in development of software packages, including writing robust unit tests and managing code deployments with continuous integration
- Experience in developing RESTful APIs and API frameworks (specifically, OpenAPI or FastAPI)
- Experience in databases (primarily MongoDB and NoSQL/document-based databases) and database building tools
- Strong experience in data management, including developing strategies for data integrity and maintaining data provenance
- Strong experience in Jupyter and JupyterHub
- Strong experience in modern version control systems (preferably git)
- Experience in maintaining web servers and web service administration (primarily Docker-based deployment)
- Excellent verbal and written communication skills
Job Responsibility:
Utilize and improve the MP production environment to increase the number of materials available in MP.
- Develop workflows within the Materials Project software environment atomate and emmet for novel materials property prediction.
- Develop/extend software infrastructure tools to improve the Materials Project web site, backend and database structure.
- Collaborate with other materials scientists, sponsors, stakeholders, and other institutions including U.S. Department of Energy and UC Berkeley.
- Interact with MP users