ML scientist for chemistry @Entalpic

We are a dedicated team at the forefront of AI and chemistry, working to accelerate the energy transition. Our focus is on discovering new chemicals and materials that can lead to more sustainable practices in sectors where the need for change is most urgent. Specifically, we develop a modern generative AI platform to discover new catalysts that optimize chemical reactions, significantly reducing CO2 emissions and thus making a substantial impact on the environment.

As an early-stage AI-driven startup backed by significant funding (>5m), we base our approach on state-of-the-art academic research to drive practical business solutions. We value clear communication and simplicity in our approaches, promoting a constant optimization mindset.

Join Entalpic to be part of a growing team, eager to learn and adapt, united by the belief that our technology can make a significant positive impact and contribute to transforming carbon-intensive industries for a sustainable future.

Co-founders: Mathieu Galtier, Victor Schmidt, Alexandre Duval

Reporting & Job Location

You will report to the Chief Science Officer (CSO) of Entalpic and will be located in our Paris offices.

Mission Highlights

As a ML scientist for chemistry, your role will be to improve in-house ML models for materials discovery and translate them into actionable insights for strategic applications, which you will develop with our industrial and academic partners. You will collaborate closely with our research and engineering teams (~10 people) to enhance the performance, scalability and impact of our AI-driven solutions, while also engaging with clients to answer their needs and deliver superior materials.

Role & responsibilities

This position directly supports the company’s mission of discovering materials to optimize carbon intensive industries. You will be responsible for:

• Algorithms: Contribute to the development of predictive and generative ML models in collaboration with dedicated teams.
• Evaluation: Continuously evaluate and optimize the performance of our ML models by building adapted metrics for catalyst generation, building upon the insights from our industrial and academic partners.
• Active learning: Participate in the active learning strategy and implementation process to improve sample selection and future model performance.
• Materials analysis: analyze the produced catalysts candidates and use domain knowledge to steer next iterations.
• Pitching & communication: present both ML research concepts to the material science community and experimental design needs to the ML team.
• Collaboration: Work closely with ML engineers, material scientists, and chemists to deliver promising material candidates for targeted applications.

Profile

• M.S or PhD in Machine Learning, Material Science, Chemistry or a closely related field, with a focus on AI4Science.
• Strong experience in machine learning & materials discovery, in particular training ML models and understanding their implications for the targeted application, ideally electro-catalysis.
• Appetite to bridge the knowledge gap between machine learning and material science teams.
• Excellent communication skills in English.
• Proven ability to work with interdisciplinary teams.
• Strong analytical skills and problem solving ability.
• Thrives in a fast-paced, evolving startup environment.

Expertise

• Machine Learning: understanding of ML theories and practices, especially related to predictive & generative models for 3D atomic systems.
• Data analysis: experience with data preprocessing & cleaning techniques, statistical methods and visualization tools – related to the material space.
• Programming: Proficient in Python, with experience in software development best practices and version control systems such as Git.
• Material Science: be familiar with advanced concepts of physics and chemistry, including computational & experimental discovery in catalysis.

Compensation & benefits

We are a no-nonsense startup, where we favor a sustainable culture promoting work-life balance and good compensation over foosball tables and free food. We offer:

• A competitive salary
• Equity (BSPCE), to reflect the value you bring to Entalpic and to foster a shared journey
• Comprehensive health insurance (Alan blue)
• French level paid leave and time-off work
• Dynamic work setting. Although our preference is for in-person collaboration, we will be flexible with occasional remote work arrangements.
• and more to come as we grow

Entalpic is dedicated to equal opportunity employment and fosters an environment that is open and respectful of diversity. All applicants are encouraged to apply, even if you don’t meet all above requirements. If you have passion for our mission and believe you can contribute, we want to hear from you.