{"id":702132,"url":"https://alion.io/job/breega-computational-chemist-electronic-functional-materials","title":"Computational Chemist (Electronic & Functional Materials)","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":null},"role":"Science & Research","role_family":"Science & Research","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":58000,"max_usd":128000,"period":"year","method":"global_role_seniority_cell","sample_n":748},"experience_years_min":2,"visa_sponsorship":true,"relocation_package":false,"has_equity":false,"technologies":[{"name":"Fine-tuning","optional":false},{"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}],"status":"live","first_seen_at":"2026-06-24T13:32:14Z","employer_posted_date":"2026-06-24","last_verified_at":"2026-10-10T22:45:30Z","board_verified":true,"closed_at":null,"days_open":108,"trust":{"level":"stale","repost_count":0,"flags":["stale"],"days_open":107},"description":"Mission Highlights\nAs a Computational Chemist specialised into electronic & functional materials, at Entalpic, you will work at the intersection of quantum chemistry, electronic structure theory, and Machine Learning (ML), aiming to accelerate the discovery of next-generation thin-film and interface materials for high-performance industrial applications.\nYour role centres on the computational characterisation of electronic, dielectric, optical, and transport properties of materials and interfaces - building (beyond) DFT x ML workflows - across a portfolio of projects spanning advanced semiconductor components, photonic materials, and atomic layer processes.\nYou will be a key contributor to Entalpic's core discovery pipeline, owning the electronic structure modelling capabilities that bridge atomic-scale quantum chemistry with device-relevant property targets; for the semiconductor industry.\nRole & Responsibilities\nThis position directly supports the company's mission of discovering materials and processes to optimize carbon-intensive industries. You will be responsible for:\nElectronic structure & property modelling - Lead DFT and beyond-DFT investigations of electronic, dielectric, and optical properties of thin-film candidates and interfaces: band gaps, work functions, dielectric constants, refractive indices, carrier effective masses, and interfacial band alignment across a range of material families (oxides, nitrides, metals, 2D materials). Experience in Density Functional Perturbation Theory, phonon-electron coupling phenomena, and modeling magnetic properties.\n\nSurface & interface modelling - Experience in modeling solid-solid heterostructures/interfaces and electronic transport at the interface, including interfacial band alignment, interfacial charge transfer and interfacial electronic transport across metal/dielectric and channel/gate stacks.\n\nHigh-throughput DFT workflows & agentification - Design, run, and automate large-scale quantum mechanical simulations using tools such as VASP or CP2K, within workflow managers (Jobflow, Atomate2, Custodian), contributing to systematic property datasets across broad material spaces. Drive the automation and orchestration of DFT pipelines, reducing human-in-the-loop bottlenecks.\n\nML model application & fine-tuning - Apply and fine-tune MLIPs and electronic property predictors on DFT-generated datasets; contribute to model validation against experimental and high-fidelity reference data.\n\nScientific leadership - Contribute to publications, patents, and client-facing deliverables; engage with industrial and academic partners on technical results; mentor junior team members and interns.\n\nExpertise & Skills\nPhD in Computational Chemistry, Condensed Matter Physics, Materials Science, or a closely related field, with 2+ years of industry experience.\n\nDeep expertise in electronic structure methods - extensive hands-on experience with DFT packages (VASP, CP2K, or equivalent), including hybrid functionals (HSE06), GW approximation, or DFPT for excited-state and optical properties.\n\nStrong background in functional property prediction - band structure, density of states, dielectric tensors, effective masses, work functions, optical spectra, and interface band alignment.\n\nProven track record in high-throughput DFT workflows.\n\nExperience with ML models applied to materials - knowledge of MLIPs (eg MACE, UMA); experience with fine-tuning or active learning workflows is a strong asset.\n\nExperience in bridging scale from atomistic simulation to device properties in semiconductors\n\nProficiency in Python, PyTorch, Slurm, and version control (Git).\n\nStrong analytical skills and ability to drive projects independently in a fast-paced startup environment.\n\nExcellent communication skills in English; ability to present results to both scientific and non-technical audiences.\n\nBonus Skills:\nExperience modelling technologically relevant thin-film materials - high-k dielectrics, low-k insulators, diffusion barriers, channel materials, or photonic coatings.\n\nFamiliarity with ALD or CVD surface chemistry and thin-film growth modelling.\n\nKnowledge of device integration constraints in advanced semiconductor or photonic process flows.\n\nExperience with defect physics, carrier transport, or reliability-related properties from a computational standpoint.\n\nPublications in electronic structure, functional materials, or ML for materials science.\n\nFamiliarity of simulation needed and easiness to learn, iterate and apply is equally important as direct experience in modeling specific properties.\n\nRecruitment Process\nInterview with the hiring manager\n\nTechnical 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: preference for in-person collaboration at our Paris offices, with flexibility for hybrid / 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: Chief Science Officer (CSO)","description_format":"text","description_chars":5849,"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":["Advanced Materials","Venture Capital"],"lifecycle":[{"event":"open","at":"2026-09-11T03:06:48Z"}],"visa":[],"liveness":{"score":15,"band":"cold","label":"Long shot","p_open":1,"p_active":0.553,"p_room":0.28,"age_days":107,"expected_fill_days":22,"reasons":["conf:1","win:tail","crowd:junior"],"computed_at":"2026-10-10T05:45:15Z"},"pay":null,"html_url":"https://alion.io/job/breega-computational-chemist-electronic-functional-materials","json_url":"https://alion.io/job/breega-computational-chemist-electronic-functional-materials.json","meta":{"generated_at":"2026-10-11T01:13:46Z","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","counted_by":"address","units_charged":1,"used_today":1790,"day_limit":5000,"remaining_today":3210,"minute_limit":60,"resets_at":"2026-10-12T00:00:00Z"}},"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-electronic-functional-materials"},{"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-electronic-functional-materials"},{"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-electronic-functional-materials"},{"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-electronic-functional-materials\", \"note\": \"what you need it for\"}"},"human":"https://alion.io/catalog?offer=company.verify&for=job%2Fbreega-computational-chemist-electronic-functional-materials"}]}