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  3. Scientist, Molecular AI Architecture
SES logo

Scientist, Molecular AI Architecture

SES
Woburn, Massachusetts
Full Time
Posted November 24, 2025
Energy Storage
Apply Now

Application opens on company website

Job Description

The role involves designing and implementing advanced AI architectures for materials discovery and battery technology, focusing on multimodal models, high-performance computing, and explainability within a scientific research environment.

Key Responsibilities

  • Design and implement novel AI systems and deep neural architectures inspired by neuroscience principles
  • Develop large-scale multimodal foundation models and agentic AI systems for complex reasoning over molecular and battery datasets
  • Create methods for model interpretability, representation engineering, and causal reasoning to ensure explainability and trustworthiness of AI results
  • Lead software development for high-performance computing environments, focusing on GPU programming and scaling neural network training and inference
  • Optimize machine learning frameworks like JAX within HPC systems and cluster computing environments
  • Create automated data-labeling and behavioral encoding models to enhance Molecular AI training and data efficiency
  • Apply scientific ML principles to biological and materials datasets to translate biological computation concepts into AI solutions for materials discovery

Requirements

  • Ph.D. in Computational and Systems Biology, Computational Neuroscience, or a closely related quantitative field.
  • Deep, demonstrated expertise in systems neuroscience, machine learning, and the design and implementation of deep neural architecture.
  • Proven experience with software development for High-Performance Computing (HPC) environments, including expert-level GPU programming.
  • Practical experience in designing and training foundation models and working with concepts like multi-agent reasoning models.
  • Demonstrated work in model interpretability and representation engineering applied to complex scientific data.
  • Experience applying Scientific Machine Learning (ML) principles to complex molecular and battery datasets, including developing automated data-labeling and behavioral encoding models to enhance training and data efficiency.
  • Ability to architect novel AI systems and deep neural architectures such as Transformers and CNNs inspired by principles of systems neuroscience and neural coding principles.
  • Experience designing and implementing large-scale multimodal foundation models and agentic AI systems capable of complex reasoning over molecular and battery datasets.
  • Ability to develop methods for model interpretability, representation engineering, and causal reasoning to ensure AI results are explainable and trustworthy for materials science.
  • Experience optimizing complex ML frameworks like JAX within systems and cluster computing environments such as Singularity.
  • Knowledge of high-performance computing (HPC) software development, including scaling training and inference efficiency of large neural networks.
  • Experience with advanced mathematical and machine learning frameworks like JAX and Julia is preferred.
  • Knowledge of Bayesian inference and working within specialized container computing environments like Singularity is preferred.
  • Experience with the design and application of agentic AI systems and multimodal reasoning architectures is preferred.

Benefits & Perks

Highly competitive salary
Robust benefits package including comprehensive health coverage
Attractive equity stock options program
Opportunity to contribute to meaningful scientific projects with broad public impact
Work in a dynamic, collaborative, and innovative environment
Significant opportunities for professional growth and career development
Access to state-of-the-art facilities and proprietary technologies

Ready to Apply?

Join SES and make an impact in renewable energy

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