Materials Informatics Scientist (Evaluation-focused)

DUDE CHEM; Berlin; Hybrid; EUR 90.000 - 125.000; Vollzeit

Zusammenfassung

DUDE CHEM is seeking a Materials Informatics Scientist (Evaluation-focused) to define how AI models for materials discovery are evaluated, validated, and trusted. You will own the evaluation discipline and build reproducible analysis pipelines linking model behavior to real discovery outcomes.

Ideally you hold a PhD or Master’s in a related field, have 5–8 years of experience with scientific or ML systems under uncertainty, and are fluent in English.

Qualifikationen

• PhD strongly preferred, or Master’s in materials science, chemistry, physics, machine learning, or related field.
• 5–8 years of experience with scientific or ML systems under real-world uncertainty.
• Demonstrated experience evaluating, benchmarking, or validating models rather than only building them.
• Strong programming skills in Python and scientific data tooling.
• English fluency; additional languages preferred.

Aufgaben

• Design, implement, and maintain evaluation frameworks for AI models across materials discovery tasks.
• Define metrics and protocols reflecting generalization, robustness, uncertainty, and experimental relevance.
• Identify failure modes, dataset leakage, and misleading performance signals.
• Systematically benchmark different model classes, training regimes, and representations.
• Provide clear, defensible recommendations on which models to trust, deploy, or retire.
• Develop and maintain professional-grade analysis pipelines for evaluation and benchmarking.
• Communicate findings clearly to AI researchers, materials scientists, and leadership.

Kenntnisse

Python

Scientific data tooling

English fluency

Ausbildung

PhD or Master’s in related field

Jobbeschreibung

Materials Informatics Scientist (Evaluation-focused)

Your mission

Define how AI models for materials discovery are evaluated, compared, and trusted

Dunia is building AI for one of the hardest unsolved problems in science: turning materials discovery from an academic, trial-and-error process into a programmable, scalable discipline.

As our models grow more complex and our experimental throughput increases, the limiting factor is no longer generating predictions, but knowing which ones to believe.

As Materials Informatics Scientist (Evaluation-focused), you will own the evaluation and validation of AI models applied to materials discovery. Your role is to ensure that model performance claims are meaningful, comparable, and decision-relevant, and that progress in AI for Materials reflects real improvements in discovery, not artifacts of metrics or datasets.

This role is not about building new models. It is about defining the standards by which models are judged.

Your tasks will include:

Own evaluation as a scientific discipline

• Design, implement, andmaintainevaluation frameworks for AI models across materials discovery tasks
• Define metrics and protocols that reflect generalization, robustness, uncertainty, and experimental relevance
• Identify failure modes, dataset leakage, and misleading performance signals

Interrogate and compare models

• Systematically benchmark different model classes, training regimes, and representations
• Evaluate tradeoffs between accuracy, uncertainty, data efficiency, and usability
• Provide clear, defensible recommendations on which models to trust, deploy, or retire

Connect AI performance to real outcomes

• Link model behavior to experimental results and program-level objectives
• Distinguish improvements that change decisions from those that only improve abstract scores
• Help research and programs teams understand what current models can and cannot reliably do

Build robust analytical tooling

• Develop and maintain professional-grade scripts and analysis pipelines for evaluation and benchmarking
• Visualize complex, high-dimensional results in ways that surface real insight
• Ensure disciplined, reproducible handling of data, code, and results

Communicate truth clearly

• Present findings clearly to AI researchers, materials scientists, and leadership
• Produce concise summaries that align the organization around a shared view of evidence and uncertainty
• Act as an independent scientific reference point when claims require validation

Your profile

• PhD (strongly preferred) orMaster'sdegree in materials science, chemistry, physics, machine learning, or a related field
• Significant experience(typically5-8 years) working with scientific or ML systems under real-world uncertainty
• Demonstrated experience evaluating, benchmarking, orvalidatingmodels rather than only building them
• Strong programming skills in Python and scientific data tooling
• Deep appreciation for rigor, reproducibility, and careful interpretation of results
• English fluency,additionallanguages preferred