eChemLabs is looking for a talented computational chemist to join its Science team. This is a unique opportunity to join a high-performing team and an industry-leading product whose customers are at the leading edge of scientific innovation. In this role, you will build the key technologies that further the mission of eChemLabs to help our customers develop electrochemical solutions faster! You will use and develop algorithms, methodologies, and computational methods to be used in the eChemLabs platform to simulate the performance of electrochemical solutions.
This is a remote-first role based in the EU and requires less than 20% travel.
As a Research Scientist, you will:
- Use existing/Develop innovative new computational methods and protocols that seamlessly combine AI/ML methods to develop in-silico simulation at molecular dynamics (MD) / density functional theory (DFT) level
- write production-quality code in Python
- Use high-performance computing (HPC) and scripting (Python, MATLAB, or equivalent) for simulations and workflow automation
- Use your knowledge of data standards such as CML (Chemical Markup Language), XSAMS (XML Schema for Atomic, Molecular and Solid Data), or other domain-specific XML formats and XML-based ontologies to develop and annotate datasets from scientific papers and computational experiments
- Work closely with engineering and product teams to ship new capabilities within the B10 platform
- Communicate regularly with customers to understand their needs and help them successfully use B10 platform in their day-to-day work
- Write blog posts, and present at conferences, workshops, and industry events
Minimum Qualifications
Must-Have Skills and Qualifications
- Master or PhD degree in Chemistry required, with a specialization in computational chemistry
- 2+ years experience as a researcher or associate
- Expertise in Density Functional Theory (DFT), QM/MM and semi-empirical methods
- Familiarity with the latest AI/ML methods for computational chemistry
- Knowledge of data standards such as CML (Chemical Markup Language), XSAMS (XML Schema for Atomic, Molecular and Solid Data), or other domain-specific XML formats and XML-based ontologies
- Ability to independently execute as a highly motivated individual in a fast-moving startup environment
- Expertise programming in Python and utilizing scientific libraries or similar
- Track record of playing a key role in successful research projects
- Excellent written and verbal communication skills
- Obsessed with rigor and attention to detail.
Preferred Qualifications
- Deep familiarity with computational methods for material discovery, based on their electrochemical properties
- Track record contributing to open source projects and demonstrated leadership in the computational chemistry space.
- Programming expertise in C++ and GPU-programming with CUDA.