{"id":1222514,"url":"https://alion.io/job/dunia-quantum-chemistry-specialist","title":"Quantum Chemistry Specialist","company":{"id":2222519,"name":"Dunia","domain":"dunia.ai","url":"https://alion.io/company/dunia-ai","size_band":"11-50","is_staffing_agency":false,"employer_type":"direct","is_intermediary":false,"listed_via":null,"ats_vendor":"Personio","truth_index":{"grade":"D","score":40,"open_postings":11,"ghost_share":1,"stale_share":0,"repost_share":0,"time_to_fill_p50_days":null,"computed_at":"2026-10-20T05:45:00Z"}},"role":"Science & Research","role_family":"Science & Research","seniority":"middle","employment_type":"full_time","work_mode":"on_site","remote_scope":null,"remote_scope_basis":null,"remote_working_hours":null,"hiring_geo_confidence":"structured","locations":["Berlin, Germany"],"countries":["DE"],"hiring_countries":[],"hiring_countries_total":0,"salary":null,"salary_estimate":{"min_usd":48000,"max_usd":114000,"period":"year","method":"global_role_cell_scaled_by_country","sample_n":760},"experience_years_min":3,"visa_sponsorship":false,"relocation_package":false,"has_equity":false,"technologies":[],"status":"live","first_seen_at":"2026-02-06T16:03:03Z","employer_posted_date":"2026-02-06","last_verified_at":"2026-10-19T07:31:46Z","board_verified":true,"closed_at":null,"days_open":255,"trust":{"level":"ghost","repost_count":0,"flags":["stale","company_stale"],"days_open":255},"description":"Your mission\nAnchor AI-driven materials discovery in first-principles quantum chemistry AI can learn powerful correlations. Quantum chemistry tells us which ones make sense.\nAt 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.\nYou 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.\nThis role is for someone who wants theory to matter.\nYour tasks will include:\nBe the physical reference point\nApply quantum chemical methods to catalytic and materials systems under active investigation\nProvide first-principles insight into reaction mechanisms, energetics, and structure-property relationships\nDecide which phenomena demand theoretical explanation and which do not\nShape AI from the inside\nWork directly with ML researchers on representations, constraints, and inductive biases\nHelp prevent physically impossible or misleading model behavior\nInfluence how uncertainty and limits of validity are handled\nConnect theory to experiments\nInterpret experimental results through a quantum chemical lens\nHelp resolve discrepancies between models, simulations, and measurements\nInform which experiments are most theoretically informative\nOperate in a real system\nRun simulations that balance rigor with speed and scale\nBuild workflows that others can rely on and extend\nAccept that usefulness matters more than elegance\nYour profile\nPhD in chemistry, materials science, or a closely related field, with3-6 years of post-PhD experience applying quantum chemical methods to real chemical or materials systems\nStrong grounding infirst-principles electronic structure methodsand their practical limitations\nExperience using theory to interpret experiments,validatemodels, or guide experimental direction\nSolid programming skills and comfort building reproducible computational workflows\nAble to balance rigor with pragmatism, choosing therightlevel of theory for the question at hand\nComfortable collaborating closely with ML researchers, experimental scientists, and automation teams\nMotivated by impact and insight, not theory in isolation\nFluent in English,additional language desirable","description_format":"text","description_chars":2423,"description_truncated":false,"requirements":{"experience_years_min":3,"management_years_min":null,"team_size_min":null,"manages_managers":false,"education":{"level":"phd","optional":false},"security_clearance":false,"languages":[{"language":"English","level":"Advanced (C1)","optional":true}]},"benefits":[],"hiring_locations":[],"hiring_excludes":[],"relocation_offered":false,"industries":[],"lifecycle":[{"event":"open","at":"2026-09-25T12:38:24Z"}],"visa":[],"liveness":{"score":4,"band":"cold","label":"Long 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