Computational Chemistry Software Engineer
SESPosted November 14, 2024
Woburn, Massachusetts
Electric Vehicles$150,000 - $250,000
REMOTE
Job Description
The role involves developing, optimizing, and deploying molecular simulation packages and machine learning models for computational chemistry, working closely with materials scientists to enhance simulation workflows in high-performance computing and cloud environments.
Responsibilities
- •Develop, optimize, and maintain custom scripts or computational packages for molecular simulations and AI model deployment.
- •Design and implement optimized workflows for deploying molecular simulation packages in HPC and cloud environments.
- •Collaborate with scientists, engineers, and AI specialists on interdisciplinary projects to translate research requirements into computational solutions.
- •Maintain rigorous documentation standards for code, models, and deployment workflows to ensure reproducibility.
- •Mentor scientists on software engineering best practices and uphold industry standards for documentation and compliance.
Requirements
- •3 years of computational chemistry software developer engineer experience.
- •Ph.D. or M.S. in Computer Science, Computational Chemistry, Chemical Engineering, Materials Science, or a related field, with a focus on molecular simulations.
- •Proficiency in molecular dynamics packages such as LAMMPS, GROMACS, CP2K, NAMD.
- •Advanced programming skills in Python, Fortran, and C, with expertise in software development and test-driven practices.
- •Experience with software package deployment, optimization, and maintenance in HPC and cloud platforms.
- •Knowledge of data analysis and visualization tools such as NumPy, Pandas, Matplotlib, and skills in parallel computing, multi-threading, and optimizing software for performance on large datasets.
- •Solid understanding of chemical interactions, thermodynamics, and statistical mechanics in molecular simulations.
Benefits
- •Compensation/salary range: 150,000 to 250,000
- •Company paid Health and Dental insurance
- •Ability to add dependents to insurance
- •Global travel insurance for employees traveling while on business
- •Company sponsored retirement plan with 100% vesting and up to 5% match
- •Life and AD&D Insurance
- •Employee Assistance Program
- •Six Paid Holidays and one floating holiday per quarter (equivalent to 4 per calendar year)
- •10 accrued vacation days per calendar year that increases with tenure
- •Bonus Equity based on position and eligibility requirements
- •Remote work position
