Find jobs in AI/ML, Data Science and Big Data
24 results
for Molecular Dynamics
(Skill/Tech stack)
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Senior Scientist - Computational Materials Science USD 93K-156KArtificial Intelligence | C# | C++ | Cp2k | Crystal Structure Prediction401k matching | Health benefits | Medical leave | Paid Holidays | Paid caregiver/parental leaveSenior-level Full TimeUSA - CT - Groton, United …23h ago
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Research Scientist - Computational Chemistry USD 150K-185KAlphafold | AutoDock4 | Autodock Vina | Cheminformatics | FreeSASAOn-site workSenior-level Full TimeEast Bay4d ago
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Affinity Modeling | Aggregation Solubility Prediction | Antibody Design | Artificial Intelligence | Assay DataDental | Health care | PTO | Retirement | Sick leaveSenior-level Full TimeCambridge, Massachusetts, US5d ago
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Staff Computational Chemistry/MD Engineer USD 141K-307KDensity Functional Theory | Frontier Molecular Orbitals | Gaussian | MACE | MLIPSenior-level Full TimeUS-CA-Fremont (1003)7d ago
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Senior Staff Computational Materials Engineer - MLIPs USD 166K-350KAtomistic modeling | DFT | Density Functional Theory | Frontier Molecular Orbitals | GaussianSenior-level Full TimeUS-CA-Fremont (1003)7d ago
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Senior Computational Chemistry Engineer USD 119K-261KDensity Functional Theory | Gaussian | Interatomic potentials | MACE | Machine LearningHybrid work model | On-site collaboration | Remote work flexibilitySenior-level Full TimeUS-CA-Fremont (1003)7d ago
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Principal Scientist - Computational Chemistry USD 106K-176KArtificial Intelligence | Cofolding | Computational Chemistry | Conformational analysis | DockingRelocation supportSenior-level Full TimeUSA - MA - Cambridge Kendall …8d ago
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Computational Protein Engineer USD 88K-135KAmber | C++ | Density Functional Theory | Fluorescence | Forcefield Development401K company matching | 9/80 work schedule | Dental insurance | Medical insurance | Paid holiday shutdownMid-level Full TimeWPAFB, United States9d ago
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Amber | CHARMM | Deep learning | Diffusion Models | Force FieldsSenior-level Full TimeNew York, United States9d ago
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Amber | Binding thermodynamics | Cheminformatics | Computer Aided Synthesis Planning | Diffusion ModelsMid-level Full TimeSanta Clara, United States10d ago
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Sr. Scientist, Computational Chemistry USD 110K-151KArtificial Intelligence | C plus plus | Cheminformatics | Data Analysis | Diversity AnalysisDental insurance | Health insurance | Medical leave | Paid Holidays | Paid caregiver/parental leaveSenior-level Full TimeUS CA San Diego, United States10d ago
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Principal Scientist - Computational Chemistry USD 106K-176KComputational Chemistry | Drug design | Generative AI | High Performance | High-Performance Computing401k match | Health insurance | Paid Holidays | Paid personal days | Paid vacationSenior-level Full TimeUSA - MA - Cambridge Kendall …13d ago
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Senior Scientific Developer USD 175K-232KArgo Workflows | Benchmarking | CI/CD | Cheminformatics | CondaAnnual team gatherings and company events | Free lunch snacks beverages | Health, dental and vision coverage | Onsite gym accessSenior-level Full TimeUnited States - Remote R14d ago
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PostDoc-Computational Materials Science & Scientific Software Engineering all genders /Part-Fulltime EUR 64K-88K3D Conformer Generation | ASE | Apptainer | CI/CD | CheminformaticsSenior-level Full TimeDarmstadt, Hessen, DE, 6429315d ago
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Active Learning | Affinity prediction | Cloud Computing | Complex modeling | Computational ChemistryRelocation benefitsSenior-level Full TimeSouth San Francisco, United States16d ago
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Scientific Director, Computational Chemistry USD 218K-298KADME-Tox | Cheminformatics | Cheminformatics Methods | Cloud Computing | Data AnalysisHealth benefits | Medical leave | Paid Holidays | Paid caregiver/parental leave | Paid personal daysExecutive-level Full TimeUS CA San Diego, United States21d ago
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C C plus plus | C plus plus | C/C# | CASSCF | Electronic structureSenior-level Full TimeOnsite – Woods Hole, MA, United …28d ago
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Machine Learning Scientist - Quantum Chemistry GBP 75K-101KComputational Chemistry | Empirical methods | JAX | Linear Algebra | Machine LearningSenior-level Full TimeWelwyn, United Kingdom1mo ago
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Senior Data Scientist TWD 175K-500KAzure | Cheminformatics | Classification | Clustering | Computer VisionSenior-level Full TimeAP-TW-Jhunan (EL), Taiwan1mo ago
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Principal Machine Learning Scientist (all genders) EUR 104K-126KBiochemical Data | Biochemical data analysis | Biophysical Data | Biophysical data analysis | Data AnalysisChildcare support | Coaching and mentoring | Health checks | Hybrid work flexibility | Inclusive work environmentSenior-level Full TimeBerlin, Berlin, DE1mo ago
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Principal Machine Learning Scientist (alle Gechlechter) EUR 104K-126KBioinformatics | Computational Biology | Computational Chemistry | Data sets | De NovoChildcare support | Coaching and mentoring | Health checks | Hybrid work flexibility | Learning development trainingSenior-level Full TimeBerlin, Berlin, DE1mo ago
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CCSD(T) | Catalysis | Computational Chemistry | Coupled-cluster | DFTAcademic freedom | International work environmentEntry-level Full TimeKgs. Lyngby, Denmark1mo ago
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Mid-level Full Time北京1mo 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, 681691mo ago