{"id":702133,"url":"https://alion.io/job/breega-computational-chemist-surface-chemistry-entalpic","title":"Computational Chemist (Surface Chemistry) - @Entalpic","company":{"id":669410,"name":"Breega","domain":"breega.com","url":"https://alion.io/company/breega","size_band":"51-200","is_staffing_agency":false,"employer_type":"direct","is_intermediary":true,"listed_via":null,"ats_vendor":"Teamtailor","truth_index":{"grade":"B","score":81,"open_postings":4,"ghost_share":0,"stale_share":0.75,"repost_share":0,"time_to_fill_p50_days":22,"computed_at":"2026-11-06T05:58:05Z"}},"role":"Biotech","role_family":"Biotech","seniority":"junior","employment_type":"full_time","work_mode":"remote","remote_scope":"stated_countries","remote_scope_basis":"posting_text","remote_working_hours":null,"hiring_geo_confidence":"explicit","locations":[],"countries":[],"hiring_countries":["FR"],"hiring_countries_total":1,"salary":null,"salary_estimate":{"min_usd":69000,"max_usd":150000,"period":"year","method":"global_role_seniority_cell","sample_n":183},"experience_years_min":2,"visa_sponsorship":true,"relocation_package":false,"has_equity":false,"technologies":[{"name":"Git","optional":false},{"name":"Human-in-the-Loop","optional":false},{"name":"Machine Learning","optional":false},{"name":"Python","optional":false},{"name":"PyTorch","optional":false},{"name":"SLURM","optional":false},{"name":"Transfer Learning","optional":false}],"status":"live","first_seen_at":"2026-06-24T13:24:09Z","employer_posted_date":"2026-06-24","last_verified_at":"2026-11-06T12:25:55Z","board_verified":true,"closed_at":null,"days_open":135,"trust":{"level":"stale","repost_count":1,"flags":["stale"],"days_open":134},"description":"Mission Highlights\nAs a Computational Chemist at Entalpic, you will work at the intersection of quantum chemistry, machine learning, and atomic-scale engineering. Your role centres on exploring surface chemistry using DFT and ML methods - investigating reaction pathways, molecular dynamics, and transition states - combined with multi-scale approaches to bridge atomic-scale simulations with process-level behaviour.\nYou will be a key contributor to Entalpic's core discovery pipeline, owning and advancing our atomistic modelling capabilities across real R&D challenges in atomic-scale manufacturing processes relevant to semiconductors, batteries, electrocatalysis, and beyond.\nRole & Responsibilities\nThis position directly supports the company's mission of discovering materials and processes to improve efficiency in carbon-intensive industries. You will be responsible for:\nSurface & molecular modelling - Lead investigations into surface reaction mechanistic modeling, including thermodynamic and kinetic modeling of solvated interfaces, using DFT and MLIPs as primary tools.\n\nWorkflow agentification - Drive the automation and orchestration of high-throughput simulation pipelines within Entalpic's active learning framework, reducing human-in-the-loop bottlenecks and enabling faster iteration cycles.\n\nScientific leadership - Contribute to publications, patents, and client-facing deliverables; mentor junior team members and interns; engage with industrial and academic partners to ensure computational discoveries are experimentally grounded.\n\nExpertise & Skills\nPhD in Computational Chemistry, Materials Science, Chemical Physics, or a closely related field, with 2+ years of industry experience.\n\nDeep expertise in quantum mechanics and DFT - extensive hands-on experience with simulation packages (VASP, CP2K, Orca, LAMMPS, or equivalent) and a strong understanding of the underlying physics.\n\nProven track record in high-throughput computational workflows - experience designing, running, and maintaining large-scale DFT campaigns using workflow managers (e.g. Atomate, Jobflow, Fireworks, ASE workflows).\n\nStrong experience with ML models applied to atomistic systems - knowledge of MLIPs or molecular property prediction models; experience with fine-tuning, transfer learning, or active learning workflows is a strong asset.\n\nMulti-scale modelling experience - familiarity with at least one of kMC, QM/MM, or related mesoscale methods is a significant plus.\n\nProficiency in Python, PyTorch, Slurm, and version control (Git).\n\nStrong analytical skills, scientific rigour, and ability to drive projects independently in a fast-paced startup environment.\n\nExcellent communication skills in English; ability to present complex results to both technical and non-technical audiences.\n\nBonus Skills:\nExperience modeling phase behavior and material properties of alloys.\n\nExperience modeling electronic transport at surfaces, including solvated surfaces.\n\nFamiliarity with reaction network generation or automated transition state search tools.\n\nRecruitment Process\nInterview with the hiring manager\n\nResearch interview covering computational chemistry and machine learning\n\nCoding interview\n\nFinal interview with the CSO\n\nCompensation & Benefits\nWe are a no-nonsense startup, where we favor a sustainable culture promoting work-life balance and good compensation over football tables and free food. We offer:\nA competitive salary\n\nEquity (BSPCE), to reflect the value you bring to Entalpic and to foster a shared journey\n\nComprehensive health insurance (Alan blue)\n\nFrench level paid leave and time-off work\n\nDynamic work environment: strong preference for in-person collaboration at our Paris offices, with flexibility for occasional remote work\n\nA relocation package and thorough visa support\n\nProfessional development: access to conferences, internal learning sessions, and compute resources\n\nEntalpic 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 the requirements above. If you have a passion for our mission and believe you can contribute, we want to hear from you.\nℹ Information\nLocation: Paris, France\n\nStart: As soon as possible\n\nReporting to: Team Lead (Computational Chemistry)","description_format":"text","description_chars":4334,"description_truncated":false,"requirements":{"experience_years_min":2,"management_years_min":null,"team_size_min":null,"manages_managers":false,"education":{"level":"phd","optional":false},"security_clearance":false,"languages":[{"language":"French","level":"All levels","optional":false},{"language":"English","level":"All levels","optional":false}]},"benefits":["Equity","Health insurance","Professional development"],"hiring_locations":[{"name":"France","iso":"FR","kind":"country"}],"hiring_excludes":[],"relocation_offered":true,"industries":["Venture Capital"],"lifecycle":[{"event":"open","at":"2026-09-11T03:06:48Z"},{"event":"close","at":"2026-09-26T12:38:01Z"},{"event":"reopen","at":"2026-10-22T04:32:05Z"}],"visa":[],"liveness":{"score":11,"band":"cold","label":"Long shot","p_open":1,"p_active":0.406,"p_room":0.28,"age_days":134,"expected_fill_days":22,"reasons":["conf:3","win:tail","crowd:junior"],"computed_at":"2026-11-06T05:58:05Z"},"pay":null,"html_url":"https://alion.io/job/breega-computational-chemist-surface-chemistry-entalpic","json_url":"https://alion.io/job/breega-computational-chemist-surface-chemistry-entalpic.json","meta":{"generated_at":"2026-11-06T16:55:22Z","cache_seconds":300,"methodology":"https://alion.io/methodology","terms":"https://alion.io/terms","contact":"https://alion.io/contact","api":"https://alion.io/developers","about":"Alion is a live layer of people, companies and AI agents: who they are, whether they are real and active right now, what they do and how to work with them, readable by people and by agents and paid per call.","catalog":"https://alion.io/catalog.json","usage":{"tier":"crawler_verified","counted_by":"address","units_charged":1,"used_today":31577,"day_limit":null,"remaining_today":null,"minute_limit":300,"resets_at":"2026-11-07T00:00:00Z"}},"offers":[{"id":"company.slices","title":"One company in depth, by slice","status":"live","price":{"credits":0.02,"usd":0.002,"plus_per_slice":{"credits":0.05,"usd":0.005}},"unit":"per company, plus each slice with data","note":"the employer in depth","call":{"mcp_tool":"get_company","arguments":{"id":669410},"rest":"https://alion.io/mcp/rest/get_company?id=669410"},"human":"https://alion.io/catalog?offer=company.slices&for=job%2Fbreega-computational-chemist-surface-chemistry-entalpic"},{"id":"market.stats","title":"A market slice: pay, demand and time to fill","status":"live","price":{"credits":1,"usd":0.1},"unit":"per slice","note":"pay, demand and time to fill for this role and place","call":{"mcp_tool":"market_stats"},"human":"https://alion.io/catalog?offer=market.stats&for=job%2Fbreega-computational-chemist-surface-chemistry-entalpic"},{"id":"job.search","title":"Open jobs by role, technology, place, pay and visa","status":"live","price":{"credits":0.02,"usd":0.002},"unit":"per posting in a list","note":"similar open postings","call":{"mcp_tool":"search_jobs"},"human":"https://alion.io/catalog?offer=job.search&for=job%2Fbreega-computational-chemist-surface-chemistry-entalpic"},{"id":"company.verify","title":"Is this company real and active right now","status":"pilot","price":null,"unit":"per company","request":{"url":"https://alion.io/catalog/request","method":"POST","body":"{\"offer\": \"company.verify\", \"for\": \"job/breega-computational-chemist-surface-chemistry-entalpic\", \"note\": \"what you need it for\"}"},"human":"https://alion.io/catalog?offer=company.verify&for=job%2Fbreega-computational-chemist-surface-chemistry-entalpic"}],"agent":{"mcp":"https://alion.io/mcp/jobs","mcp_open":"https://alion.io/mcp/open","next":[{"tool":"get_job","arguments":{"id":702133}},{"tool":"search_jobs","arguments":{"company":"breega.com","detail":"compact"}},{"tool":"match_people","arguments":{"job_id":702133},"note":"people open to offers who fit this vacancy"}],"note":"The same data through MCP tools: https://alion.io/mcp/open needs no sign-in (compact searches, postings, people); https://alion.io/mcp with an Alion account has everything. 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