Your mission Anchor AI-driven materials discovery in first-principles quantum chemistry AI can learn powerful correlations. Quantum chemistry tells us which ones make sense. At Dunia, we are building AI systems that propose experiments, guide discovery, and influence real-world decisions in materials science. As Quantum Chemistry Specialist, you are the person who ensures these systems stay grounded in first principles. You bring deep theoretical understanding to a fast-moving, AI-driven discovery loop. Your work clarifies what must be explained, what can be approximated, and where models are extrapolating beyond physics. This role is for someone who wants theory to matter. Your tasks will include: Apply quantum chemical methods to catalytic and materials systems under active investigation Provide first-principles insight into reaction mechanisms, energetics, and structure–property relationships Decide which phenomena demand theoretical explanation and which do not Shape AI from the inside Work directly with ML researchers on representations, constraints, and inductive biases Help prevent physically impossible or misleading model behavior Influence how uncertainty and limits of validity are handled Connect theory to experiments Interpret experimental results through a quantum chemical lens Help resolve discrepancies between models, simulations, and measurements Inform which experiments are most theoretically informative Operate in a real system Run simulations that balance rigor with speed and scale Build workflows that others can rely on and extend Accept that usefulness matters more than elegance Your profile PhD in chemistry, materials science, or a closely related field, with 3–6 years of post-PhD experience applying quantum chemical methods to real chemical or materials systems Strong grounding in first-principles electronic structure methods and their practical limitations Experience using theory to interpret experiments, validate models, or guide experimental direction Solid programming skills and comfort building reproducible computational workflows Able to balance rigor with pragmatism, choosing the right level of theory for the question at hand Comfortable collaborating closely with ML researchers, experimental scientists, and automation teams Motivated by impact and insight, not theory in isolation Fluent in English, additional language desirable About us Dunia , meaning “world” in over 20 languages, reflects our focus on building technologies that deliver abundance globally. By combining physics, AI, and automation, we accelerate materials discovery for next-generation energy and industrial systems. Our work helps make energy more accessible and materials more affordable and resilient while reshaping how science moves from idea to impact. Join us to work on problems where progress truly compounds. Need more convincing? --> Watch this video We strive to create a diverse and inclusive workplace where everyone feels welcome and safe to be their authentic self. Non-traditional career paths are welcome and valued. If you share our vision, you can be certain that we want you to succeed. You might be just the right candidate for this or for other roles that have not opened yet. Reach out, and follow us on LinkedIn ! #J-18808-Ljbffr
Quantum Chemistry Specialist Arbeitgeber: Dunia
Dunia ist ein hervorragender Arbeitgeber, der dir die Möglichkeit bietet, in einem kleinen, internationalen Team zu arbeiten und dabei die volle Verantwortung für die Finance-Funktion zu übernehmen. Mit flexiblen hybriden Arbeitsmodellen und der Chance, direkt mit einer erfahrenen Fractional CFO zusammenzuarbeiten, fördert das Unternehmen nicht nur deine berufliche Entwicklung, sondern auch ein inklusives und diverses Arbeitsumfeld, in dem unkonventionelle Karrierewege geschätzt werden.
