2026 New College Grad - Computational Chemist / Materials Scientist (Machine Learning – Reactive MLIPs) - Doctorate Degree
Tasks
- Analyze structure property and structure reactivity
- Apply enhanced sampling methods
- Build automated simulation pipelines
- Collaborate with experimental teams
- Design active learning workflows
- Develop reactive MLIPs
- Generate and curate DFT training datasets
- Integrate MLIPs with molecular dynamics
- Perform oxidation reduction and diffusion simulations
- Predict energies forces and reaction pathways
- Train and deploy ML driven interatomic potentials
Perks/Benefits
- Employee development programs
- Full-time position
- HPC access
- Relocation assistance
- Travel opportunities
- Wellbeing programs
Skills/Tech-stack
ASE | Active Learning | AiiDA | Atomistic modeling | Bayesian Methods | DeepMD | Density Functional Theory | Equivariant Neural Networks | Fireworks | First Principles Methods | First principles | GAP | Graph Neural Networks | High Performance | High-Performance Computing | Interatomic potentials | LAMMPS | MACE | Machine Learned Interatomic Potentials | Machine Learning | Metadynamics | Molecular Dynamics | NEB | NequIP | Neural Networks | Performance Computing | PyTorch | Python | Reactive Machine Learned Interatomic Potentials | SNAP | TensorFlow | Uncertainty Quantification | VASP
Education
Regions
Countries
States
Cities
Related jobs
-
Featured Feat. Data Scientist USD 80K-157KAWS | Airflow | Annotation | Azure | ClassificationHybrid work mode | Professional development opportunitiesMid-levelGeorgetown University: Main Campus: Walsh School …14d ago
-
Tech Lead, AI Research Scientist (Robotics) USD 170K-251KAction Conditioned World Models | Artificial Intelligence | Computer Vision | Deep learning | Dexterous ManipulationMentorship opportunities | Open science contributions | Work authorization supportSenior-level Full TimeMenlo Park, CA4h ago
-
Senior Staff Research Data Scientist, AI Data USD 262K-365KData Quality | Data Science | Data acquisition | Database querying | Machine LearningSenior-level Full TimeMountain View, CA, USA4h ago
-
Bayesian statistics | Causal Inference | Python | R | SQLMid-level Full TimeSan Bruno, CA, USA; Mountain View, …4h ago
-
Business Data Scientist, Android, Platforms and Devices Marketing - New York, Mountain View, or San Francisco USD 138K-198KA/B | A/B Testing | Audience Segmentation | B testing | Causal InferenceMid-level Full TimeNew York, NY, USA; Mountain View, …4h ago
-
Senior Machine Learning Data Scientist USD 102K-156KApache Spark | Databricks | Git | Hyperparameter Tuning | Machine LearningDental insurance | Disability insurance | ESPP | Health insurance | HolidaysSenior-level Full TimeHOUSTON, US, 770567h ago
-
Senior Data Scientist - Clinical AI development USD 100K-155KAPI Design | CI/CD | Cloud Computing | Containerization | Data Pipelines401k | Disability insurance | Employee assistance program | Flexible vacation | Life insuranceSenior-level Full TimeLexington, MA, US7h ago
-
Staff Data Scientist, Safety Insights USD 217K-303KCausal Inference | Difference-in-differences | Experimentation | GenAI | Language Models401k employer match | Family planning support | Flexible vacation | Gender-affirming care | Health care benefitsSenior-level Full TimeRemote - United States R15h ago
-
Senior Data Scientist, Fraud Analytics and Strategy USD 110K-160KAML | BSA | Data Analysis | Data Enrichment | Feature EngineeringHealth benefits | Paid time off | Stock optionsSenior-level Full TimeMountain View, California, United States16h ago
-
Machine Learning Engineer II USD 131K-184KAzure | Batch inference | Data Pipelines | Databricks | Distributed SystemsContinuous learning | Flexible ways of working | Growth mindset cultureMid-level Full TimeUSA TX Houston Hybrid, United States R16h ago
-
Data Scientist - Search USD 175K-234KA/B | A/B Testing | B testing | Information Retrieval | Language ModelsHealth plan coverage | Hybrid work model | OneMedical membershipSenior-level Full TimeUS Remote R17h ago
-
Data Scientist, People USD 210K-350KAutomation | BigQuery | Causal Inference | DBT | Experimentation401k match | Commuter benefits | Dental insurance | Flexible time off | Health insuranceSenior-level Full TimeFoster City, CA19h ago
-
Data Scientist USD 130K-170KAutomation | Dashboard Development | Data Quality | Data Visualization | Data Wrangling401k | Dental insurance | Health insurance | Hybrid work environment | Life insuranceSenior-level Full TimeBethesda, Maryland19h ago
-
Data Scientist USD 120K-145KAirflow | Apache Beam | BigQuery | Data Pipelines | Dataflow401k plan | Comprehensive medical, dental coverage | Equity | Flexible time off | Life and disability benefitsMid-level Full TimeSunnyvale, CA21h ago
-
ADaM | CDISC | CI/CD | Clinical data | Clinical data managementRemote workSenior-level Full TimeUnited States R22h ago
-
CECL | Clustering | Credit Risk | Credit risk modeling | DashboardingSenior-level Full TimeTX - Frisco22h ago
-
Senior-level Full TimeArlington, VA23h ago
-
Senior Scientist I Computational Chemistry USD 106K-202KADMET | Artificial Intelligence | Atomistic modeling | C plus plus | Computer Modeling401k | Dental insurance | Health insurance | Paid time off | Vision insuranceSenior-level Full TimeNorth Chicago, IL, United States R1d ago
-
Senior Data Scientist, Acquisition Marketing USD 120K-170KApplied statistics | Automation | Causal Inference | DBT | Data Modeling401k match | Annual performance reviews | Company equipment | Company events | Dental insuranceSenior-level Full TimeAtlanta, GA preferred, Remote R1d ago
-
Data Scientist, Manufacturing Analytics USD 68K-192KAI model | AI model development | Agile | Artificial Intelligence | Data VisualizationAdoption support | Child care assistance | Dental insurance | Employee resource groups | Fertility treatmentsEntry-level Full TimeUnited States R1d ago
-
Senior Data Architect Scientist USD 128K-214KCloud Computing | Data Analysis | Data Exploration | Data Mining | Data VisualizationSenior-level Full TimeUSA-GA-Augusta1d ago
-
Causal Inference | Data Pipelines | Data Visualization | Database querying | Experimental DesignSenior-level Full TimeNew York, NY, USA; Atlanta, GA, …1d ago
-
Senior Research Data Scientist, Search Ads USD 174K-252KMathematical Modeling | Python | R | SQL | Statistical AnalysisSenior-level Full TimeMountain View, CA, USA1d ago
-
Senior Research Data Scientist, AI Developer Tools USD 174K-252KExperiment design | Language Models | Large Language Models | Machine Learning | PythonSenior-level Full TimeSunnyvale, CA, USA1d ago
-
Senior Data Scientist, GeminiApp, DeepMind USD 232K-252KData Analysis | Data Driven Product | Data Science | Data-driven | Data-driven product developmentSenior-level Full TimeMountain View, CA, USA; New York, …1d ago