Find jobs in AI/ML, Data Science and Big Data
21 results
for Density Functional Theory
(Skill/Tech stack)
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Ab Initio | Ab initio methods | Density Functional Theory | Density matrix | Density matrix renormalization groupDental insurance | Educational benefits | Health insurance | Life insurance | Optional 401kNone Full TimeMurfreesboro, Tennessee1d ago
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Computational Chemist (m/w/d) EUR 36K-36KAdsorption | Automation | Data Analysis | Density Functional Theory | Digital TwinEqual opportunity employment | Flexible work hours | Mobile working | Training opportunitiesEntry-level Full TimeMannheim, BW, DE, 681693d ago
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API Integration | Data Engineering | Density Functional Theory | Electronic structure | HDF5Hands-on experience | Learning opportunities | Mentorship | Multidisciplinary research teamEntry-level InternshipPalaiseau, France6d ago
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Research Scientist (Quantum Materials) SGD 60K-108KComputational modeling | Density Functional Theory | Quantum Mechanics | Quantum sensing | SimulationMid-level Full TimeNTU Main Campus, Singapore7d ago
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Computational Materials Scientist GBP 52K-56KAtomistic simulations | CALPHAD | Data Analysis | Density Functional Theory | GROMACSFlexible working hours | Hybrid work flexibility | Part-time options | Reasonable accommodations | Remote work optionsSenior-level Full TimeGBR-Birchwood-Warrington 305 (061GB), United Kingdom8d ago
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Atomistic simulations | Density Functional Theory | Electron transport | Machine Learning | Moiré PatternsOpen collaborationEntry-level Full TimeKgs. Lyngby, Denmark8d ago
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2026 New College Grad - Computational Chemist / Materials Scientist (Machine Learning – Reactive MLIPs) - Doctorate Degree USD 138K-190KASE | Active Learning | AiiDA | Atomistic modeling | Bayesian MethodsEmployee development programs | Full-time position | HPC access | Relocation assistance | Travel opportunitiesNone Full TimeSanta Clara,CA, United States17d ago
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3D conformers | ASE | Agent systems | Alignment | Autoregressive modelsMid-level Full TimePasadena, CA17d ago
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Computational modeling | Density Functional Theory | Scientific ComputingEntry-level Full TimeVilligen PSI, AG, Switzerland17d ago
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Computational Materials Scientist INR 1105K-1600KAb Initio | Ab initio methods | C++ | Coarse Grained Methods | Computational ChemistryAnnual vacations and holidays | Day care assistance program | Medical plans | Relocation program | Retirement benefitsMid-level Full TimeBangalore, KA, IN, 560066 R22d ago
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Density Functional Theory | High Throughput | High-throughput modeling | Iets | Inelastic tunneling spectroscopyMid-level Full TimeMain Campus (Gainesville, FL)22d ago
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Autodock Vina | Basis sets | Conda | Convergence thresholds | Density Functional TheoryFlexible schedule | Project based work | Remote workMid-level FreelanceSouth Africa - Remote R23d ago
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Chemical Data Scientist USD 122K-167KComputational Chemistry | Data Analysis | Data Engineering | Data Visualization | Data integration401k matching | Career growth | Dental insurance | Medical insurance | Vision insuranceSenior-level Full TimeOwned, United States23d ago
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Postdoctoral Researcher Position in AI/DFT/DMFT Computational Materials Discovery - Aalto University EUR 50K-55KComputational Materials | Condensed Matter Physics | Condensed matter | Density Functional Theory | Generative ModelsComputational resources free of charge | Occupational healthcare | Research collaboration opportunitiesEntry-level Full TimeOtaniemi, Finland28d ago
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Retrosynthesis Researcher, Machine Learning USD 120K-145KASKCOS | AiZynthFinder | Attention Mechanism | Cheminformatics | Cloud Computing401k | Dental insurance | Flexible work schedule | Health care | Paid vacationSenior-level Full TimeNew York1mo ago
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Agentic Workflows | Catalyst Design | Density Functional Theory | EXAFS | ElectrocatalysisSenior-level Full TimeLemont, IL USA, United States1mo ago
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BigDFT | Data Analysis | Data Visualization | Density Functional Theory | Machine LearningCompany restaurant | Cultural benefits | Social benefits | Training programs | Transport reimbursementEntry-level Full TimeGrenoble1mo ago
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Computational Chemist/Material Scientist - Metal Alloys USD 147K-209KABAQUS | ANSYS | Ab Initio | Artificial Intelligence | Atomistic SimulationSenior-level Full TimeNew York, NY1mo ago
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Senior Quantum Computational Materials Scientist, US USD 120K-175KAlgorithm Design | Algorithm Optimization | Benchmarking | Classical simulation | Computational Chemistry401k match | Dental insurance | Health insurance | Life insurance | Unlimited annual leaveSenior-level Full TimeWashington, District of Columbia, United States1mo ago
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AI Research Engineer, FAIR Chemistry USD 141K-208KApplied Mathematics | Artificial Intelligence | Computational statistics | Data Science | Density Functional TheorySenior-level Full TimeSan Francisco, CA1mo ago
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Computational Chemist INR 700K-900KAb Initio | C# | ChemProp | Density Functional Theory | Feature EngineeringMid-level Full TimeBangalore,IND, India1mo ago