Find jobs in AI/ML, Data Science and Big Data
44 results
for Molecular Dynamics
(Skill/Tech stack)
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Senior Scientist I, Computational Chemistry USD 149K-186KBash | C# | Cheminformatics | Computational Chemistry | Data ScienceSenior-level Full TimeRedwood City, California, United States18h ago
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ASE | Density Functional Theory | HPC | LAMMPS | LinuxHealth and wellbeing programs | Learning and development | Mentorship | Supportive work cultureEntry-level Full Time InternshipSanta Clara,CA, United States1d ago
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Senior Scientist I, Computational Chemistry USD 149K-186KBash | C# | Cheminformatics | Computational Chemistry | Data ScienceHybrid work | Learning and development opportunitiesSenior-level Full TimeRedwood City, California, United States2d ago
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Computational Materials Scientist, Modeling Services USD 120K-145KBash | High Performance | High-Performance Computing | Linux | Molecular Dynamics401k | Catered meals | Commuter benefits | Dental/vision | Flexible work scheduleMid-level Full TimePortland3d ago
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ABAQUS | ANSYS | Atomistic Simulation | C++ | CUDAEntry-level Full TimeNorth Andover, MA, US4d ago
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Principal Machine Learning Scientist USD 123K-185KData Analysis | Deep learning | Dimensional data | Generative Models | High Dimensional DataDental insurance | Healthcare | Paid time off | Retirement benefits | Sick leaveSenior-level Full TimeCambridge, Massachusetts, US4d ago
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Computational Materials Scientist USD 60K-82KAtomistic modeling | Computational modeling | Computational thermodynamics | Crystal plasticity | Data GenerationSenior-level Full TimeDevens, MA4d ago
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Artificial Intelligence | Biophysical characterization | Data Analysis | Dimensional data | High Dimensional DataAbility to take Dartmouth courses | J1 visa sponsorship | Tuition paid for coursesEntry-level Full TimeHanover, NH4d ago
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Senior Data Scientist GBP 53K-53KComputational modeling | Conformational free energy landscapes | Conformational heterogeneity | Cryo-EM | CryoSPARCAnnual leave | Back up care for dependents | Bike to work scheme | Career development support | Childcare supportSenior-level Full TimeLondon, United Kingdom4d ago
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AI/ML for Chemistry/Materials Intern USD 86K-100KComputational Chemistry | Computational physics | Gaussian | LAMMPS | Machine LearningEntry-level Full Time InternshipSanta Clara,CA, United States4d ago
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Amber | Bash | C# | GROMACS | High PerformanceRelocation benefitsSenior-level Full TimeSouth San Francisco, United States9d ago
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Senior Research Scientist, Fundamental Generative AI USD 192K-304KC++ | CUDA | Deep learning | Generative AI | Molecular DynamicsSenior-level Full TimeUS, CA, Santa Clara, United States9d ago
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Computational Materials Scientist INR 800K-1133KAb Initio | C# | ChemProp | Density Functional Theory | FortranMid-level Full TimeBangalore,IND, India10d ago
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ADMET | Cheminformatics | Chemoinformatics Databases | Ligand screening | Machine Learning401k | Catered meals | Company events | Dental insurance | Flexible work scheduleMid-level Full TimeNew York11d ago
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Affinity prediction | Artificial Intelligence | Binding Affinity Prediction | Computational Chemistry | Computational WorkflowsInterdisciplinary collaboration | Research Affiliation | SeminarsMid-level Full TimeSweden - Gothenburg11d ago
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Computational Chemist - Postdoctoral Researcher USD 118K-118KC++ | Data Analysis | Data Visualization | High Throughput | High Throughput Screening401k | Domestic travel | Education reimbursement program | Flexible schedules | Relocation assistanceEntry-level Full TimeLivermore, CA, United States15d ago
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Assistant Professor (non‑tenured) in Computational Drug Design at the University of Southern Denmark (SDU), Odense DKK 540K-540KComputational drug design | Computer Aided Drug Discovery | Drug Discovery | Drug Transport | Drug TransportersMid-level Full TimeOdense M, Denmark15d ago
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Bash | Cheminformatics | Command Line | Command-line scripting | Conformational samplingBonus eligibility | Health insurance | Paid Holidays | Retirement benefits | Sick daysMid-level Full TimeUSA - New Jersey - Rahway, … R16d ago
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Research Advisor, Computational Chemistry USD 136K-185KADME | AM1 BCC | Ab Initio | Artificial Intelligence | CheminformaticsSenior-level Full TimeUnited States - Remote R16d ago
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Research Advisor, Computational Chemistry INR 2500K-4225KAM1 BCC | Ab Initio | Artificial Intelligence | Cheminformatics | Cloud ComputingSenior-level Full TimeIndia - Remote R16d ago
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Research Scientist Intern - Computational Biology (Seed AI-for-Science) - 2026 Start (PhD) USD 115K-237KBioinformatics | C++ | CryoEM | Docking | Generative ModelingDay-one benefits | Health insurance | Life insurance | Open science opportunities | Paid HolidaysEntry-level InternshipSeattle, Washington, United States17d ago
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Amber | Bash | Computational Chemistry | Gaussian | Machine LearningInterdisciplinary collaborations | Mentorship opportunities | State-of-the-art facilitiesSenior-level Full TimeNTU Main Campus, Singapore17d ago
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Amber | CHARMM | Deep learning | Diffusion Models | Geometric Deep LearningSenior-level Full TimeNew York, United States17d ago
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Chemical Data Scientist USD 101K-157KComputational Chemistry | Data Analysis | Data Engineering | Data Visualization | Data integration401k matching | Dental insurance | Medical insurance | Paid benefits | Vision insuranceSenior-level Full TimeOwned, United States17d ago
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AI/ML Scientist USD 120K-220KAutoregressive models | Cloud Computing | Computational Biology | Computing systems | Data EngineeringMid-level Full TimeBoston17d ago
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Senior Scientist (New Modalities) – Analytical Science & Technology, Global Product Development, PT&D GBP 45K-51KAF4 | Aggregation Modeling | Biophysics | Circular Dichroism | Colloidal scienceFlexible work arrangements | In-person collaboration | Reasonable accommodationsSenior-level Full TimeUK - Macclesfield, United Kingdom18d ago
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Amber | Bash | CPPTRAJ | Double Decoupling | FEPCareer development opportunities | Free breakfast daily | Group exercise classes | Onsite gym access | Recognition for National Intern DayEntry-level Full Time5005 - Vertex US - San …18d ago
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Active Learning | Bayesian optimization | Coarse Grained Modeling | Computer Vision | Data Pipelines401k eligibility | Employee assistance program | Health and wellness benefits | Paid Holidays | Paid parental leaveSenior-level Full TimeMentor, OH, United States18d ago
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Materials Science Applications Scientist EUR 65K-65KClassical molecular dynamics | Coarse Grained Modeling | Machine Learning | Mechanical modeling | Molecular DynamicsBahncard 50 | Bike leasing | Corporate counseling service | Donation match program | EGYM WellpassSenior-level Full TimeMannheim21d ago
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Artificial Intelligence | Binding Affinity Calculation | Compound design | Data Science | Drug DiscoveryChildcare support | Coaching and mentoring | Daycare centers | Flexible time off | Health checksSenior-level Full TimeWuppertal-Aprath, North Rhine Westfalia, DE22d ago
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Diffusion Coefficient | Force Fields | GROMACS | HPC | LAMMPSRemote work | Training and mentorshipEntry-level InternshipU.S. Pacific Time (PT) Zone22d ago
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C# | C++ | Crystal plasticity | Data Analysis | Dislocation dynamics401k | Education reimbursement program | Flexible benefits package | Flexible schedules | Relocation assistanceEntry-level Full TimeLivermore, CA, United States22d ago
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Diffusion Coefficient | Force Field | GROMACS | HPC Job Submission | Job submissionRemote work | Training and mentorshipEntry-level InternshipU.S. Eastern Time (ET) Zone22d ago
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Coordination Number | Data pipeline | Data pipeline automation | Diffusion Coefficient | Field developmentRemote work | Training and mentorshipEntry-level InternshipChina22d ago
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Diffusion Coefficient | Diffusion Coefficient Calculation | Field development | Force Field | Force field developmentInternational team collaboration | Remote work | Training and mentorshipEntry-level InternshipSouth Korea22d ago
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Coordination Number | Diffusion Coefficient | Field development | Force Field | Force field developmentRemote work | Training and mentorshipEntry-level InternshipJapan22d ago
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C++ | Data Analysis | Dislocation Simulation | High Performance | High-Performance ComputingBenefits package | Education reimbursement | Flexible schedules | Relocation assistanceEntry-level Full TimeLivermore, CA, United States24d ago
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Ingénieur(e) en Bioinformatique EUR 48K-55KBash | C++ | Data Visualization | Database Management | DockingSenior-level Full TimeParis, France1mo ago
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Bayesian optimization | Computational Chemistry | Machine Learning | Materials Science | Molecular DynamicsEntry-level ContractLondon, United Kingdom1mo ago
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ADME-Tox | AI workflows | AWS | Docking | FEPHealth insurance | Incentives | Paid Holidays | Profit sharing | Provident insuranceSenior-level Full TimeFrance - Toulouse - Langlade1mo ago
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Bayesian optimization | Computational Chemistry | De Novo | De novo drug design | Deep learning401k | Dental | Medical | Paid sick leave | VisionSenior-level ContractSouth San Francisco, United States1mo ago
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Machine Learning Research Scientist - Atomistic AI USD 129K-246KComputational Chemistry | High Throughput | High-throughput computation | Machine Learning | Molecular DynamicsMid-level Full TimeSeattle, Washington, United States1mo ago
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Scientist, Computational Chemistry USD 150K-215KAlchemical transformations | Amber | ChemProp | Cheminformatics | Clustering methodsCollaborative environment | Cutting-edge research | Impactful projectsSenior-level Full TimeUnited States - Remote R1mo ago
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Ab Initio | Ab-initio calculations | Advanced sampling techniques | C# | C++Entry-level InternshipRedmond, WA1mo ago