About the Role We are seeking an Applied Machine Learning Engineer with a strong foundation in chemistry or chemical engineering and a passion for applying data-driven methods to real experimental systems. You will lead and execute client optimization campaigns—from dataset setup and model configuration to interpreting results and communicating insights. This is a hybrid chemistry and data science role: you’ll translate noisy, messy data into optimization-ready datasets, run Bayesian optimization loops, create informative data visualizations, and extract actionable chemical insights from model results.

Core Responsibilities

• Own and execute client optimization campaigns, including dataset preparation, input/output mapping, and objective configuration within SuntheticsML.

• Configure and run Bayesian Optimization (BO) and Active Learning (AL) loops to identify optimal experimental conditions efficiently.

• Integrate traditional Design of Experiments (DOE) strategies with ML-driven methods to ensure balanced exploration and high-quality data acquisition.

• Interpret and communicate model results—such as variable importance, Pareto trade-offs, and error metrics—translating them into meaningful chemical insights.

• Generate reproducible reports and analyses, maintaining standardized templates for client delivery.

• Collaborate closely with Customer Success and ML teams to translate client needs into technical configurations and meaningful results.

• Provide feedback to the ML engineering team on model performance, data challenges, and feature requests to improve the platform.

• Ensure data integrity and quality control, including preprocessing, validation, and consistency checks for experimental datasets.

Ideal Profile

• PhD or Master’s degree in Chemical Engineering, Chemistry, Materials Science, or a related discipline.
• Strong data science fluency and hands-on experience with Python (pandas, numpy, plotly, scikit-learn, Pytorch or similar).
• Experience designing, analyzing, or interpreting experiments using DOE principles—including factorial, response surface, or mixture designs.
• Experience analyzing chemical or process data—reaction optimization, formulation, or process development preferred.
• Familiarity with Bayesian Optimization frameworks (BoTorch or related libraries).
• Comfortable interpreting ML model results (e.g., feature importance, uncertainty, multi-objective optimization).
• Excellent communication skills—able to explain complex results to both technical and non-technical stakeholders.

Nice to haves

• Experience with chemical informatics tools (e.g., RDKit, reaction descriptors, or cheminformatics workflows).
• Background in causal inference or advanced variable interpretation.
• Experience working directly with experimental scientists or R&D teams.
• Strong data storytelling and scientific visualization skills.

Why This Role Matters This role sits at the intersection of chemistry, machine learning, and client delivery.

You will

• Lead the optimization campaigns from setup through insight delivery.
• Combine DOE intuition with ML-driven optimization to guide clients toward faster, smarter experimentation.
• Translate complex ML results into tangible chemical understanding, enabling faster decision-making for clients.
• Bridge the gap between data science and chemistry, ensuring every model iteration aligns with real-world experimental context.
• Increase client throughput and turnaround speed, directly contributing to Sunthetics’ impact and scalability

What We Value ● Scientific curiosity and rigor—you care about both the “why” and the “how.” ● Clear communication across chemistry, data science, and engineering disciplines. ● A bias toward reproducibility—every analysis you run can (and should) be replicated. ● A drive to accelerate sustainable innovation through smarter experimentation.

Salary and Benefits:

• Competitive salary and company equity package.
• Health benefits.
• Opportunities for internal promotion.
• Small-team setting with a collaborative atmosphere.
• Fully remote team.

Equal Employment Opportunity Statement

Sunthetics is an Equal Opportunity Employer. Sunthetics is committed to a policy of equal treatment and opportunity in every aspect of its hiring and promotion process without regard to race, color, creed, religion, sex, pregnancy or childbirth (or related medical condition), sexual orientation, partnership status, gender and/or gender identity or expression, marital, parental or familial status, caregiver status, national origin, ethnicity, alienage or citizenship status, veteran or military status, age, disability, predisposing genetic characteristics, domestic violence victim status, unemployment status, or any other legally protected basis. Women, racial and ethnic minorities, persons of minority sexual orientation or gender identity, individuals with disabilities, and veterans are encouraged to apply for vacant positions at all levels.

Sunthetics does not offer sponsorship for work Visas but will accept candidates holding OPT.