Find jobs in AI/ML, Data Science and Big Data
8 results
for Interatomic potentials
(Skill/Tech stack)
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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 States3d ago
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3D conformers | ASE | Agent systems | Alignment | Autoregressive modelsMid-level Full TimePasadena, CA4d 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 R8d ago
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Agentic Workflows | Catalyst Design | Density Functional Theory | EXAFS | ElectrocatalysisSenior-level Full TimeLemont, IL USA, United States28d 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, NY30d ago
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Senior Architect USD 224K-356KAPI Development | Artificial Intelligence | CUDA | Developer platforms | GPU ComputingBenefits | EquitySenior-level Full TimeUS, CA, Remote, United States R1mo ago
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Computational Chemist INR 700K-900KAb Initio | C# | ChemProp | Density Functional Theory | Feature EngineeringMid-level Full TimeBangalore,IND, India1mo ago
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Computational Materials Scientist INR 800K-1133KAb Initio | C# | ChemProp | Density Functional Theory | FortranMid-level Full TimeBangalore,IND, India1mo ago