35 jobs for Molecular Modeling

PhD scholarship in Machine Learning for Quantum Chemistry of Complex Reactions - DTU Energy DKK 433K-433K

Data-Driven Modeling | Data-driven | Electronic structure | Electronic structure theory | Machine Learning

Interdisciplinary collaboration | International research environment | Open scientific datasets | Reproducible workflows

Entry-level Full Time

Kgs. Lyngby, Denmark

3d ago

Data Scientist USD 121K-194K

AWS | Active Learning | Bayesian optimization | Classification | Data Visualization

Adoption support | Discretionary year end shutdown | Family planning benefits | Fertility support | Fitness support

None Full Time

325 Binney St - Cambridge - …

5d ago

Director/Senior Director, Computational Chemistry USD 176K-294K

ADME | AI machine learning | Cheminformatics | Compound Prioritization | Computational Chemistry

Annual incentive program | Employee benefits | Healthcare coverage | Retirement benefits

Senior-level Full Time

Cambridge, MA USA

6d ago

Agentic AI Lead – Protein Design & Molecular Engineering INR 2500K-5000K

Agent systems | Agentic AI | Artificial Intelligence | Computational Biology | Foundation Models

Senior-level Full Time

India - Hyderabad

6d ago

PhD Student in Computational Molecular Design - DTU Chemical Engineering DKK 433K-433K

Chemical engineering | Chemical engineering fundamentals | Coarse Grained Modeling | Engineering Fundamentals | GROMACS

Academic freedom | International work environment | Research collaboration | Teaching experience

Entry-level Full Time

Kgs. Lyngby, Denmark

7d ago

Research Scientist II/Senior, Computational Chemistry USD 124K-172K

Affinity prediction | Binding Affinity Prediction | Cheminformatics | Co-folding | Computational Chemistry

401k matching | Company paid healthcare | Flexible spending accounts | Onsite gym | Remote work option

Senior-level Full Time

San Diego HQ R

9d ago

Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing Plasma) USD 111K-178K

Ab Initio | Ab initio molecular dynamics | Band Gap Calculations | Classical molecular dynamics | Cp2k

Mid-level Full Time

Princeton, NJ, United States

12d ago

Senior Scientist, Computational Materials Solutions USD 100K-125K

Bayesian Methods | Computational Chemistry | Computational Materials | Computational materials science | Data Analysis

401k employer match | Dental insurance | Education assistance | Flexible work schedule | Health insurance

Senior-level Full Time

CT - Danbury, United States R

12d ago

Senior Director, Computational Sciences & Digital Engineering TWD 1500K-2000K

Artificial Intelligence | Atomistic modeling | Cloud Computing | Computational Chemistry | Computational Fluid Dynamics

Senior-level Full Time

Taiwan - Hsinchu R

13d ago

Senior Scientist, Computational Materials Solutions USD 100K-125K

Bayesian Methods | Computational Chemistry | Computational Materials | Computational materials science | Data Management

401k match | Education assistance | Flexible work schedule | Health, dental, vision insurance | Paid Holidays

Senior-level Full Time

PA - Remote, United States R

13d ago

Senior Principal Research Scientist, Computational Chemistry USD 196K-242K

Allosteric Modelling | Artificial Intelligence | Cheminformatics | Computational Chemistry | Data Analysis

401k | ESPP | Employee vaccination requirement | Medical, dental & vision coverage | Onsite four days per week

Senior-level Full Time

South San Francisco HQ, United States

13d ago

Neuroscience Faculty Positions - Computational (2026-2027) USD 68K-120K

Artificial Intelligence | Bioinformatics | Computational modeling | Data Analysis | Imaging Data Analysis

Ongoing salary support | Start-up package

Mid-level Full Time

New Haven, CT

14d ago

Director, Computational HitGen / LeadGen Team Lead USD 156K-296K

Affinity prediction | Artificial Intelligence | Binding Affinity Prediction | Computational Drug Discovery | Data Analysis

401k | Dental insurance | Health insurance | Long-term incentive program | Paid time off

Executive-level Full Time

North Chicago, IL, United States

18d ago

Chemistry Expert (UK) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | Numerical Methods

Remote work

Senior-level Full Time

United Kingdom R

18d ago

Chemistry Expert (Turkey) USD 80K-80K

Cheminformatics | Computational Chemistry | Molecular Modeling | Numerical Methods | Python

Contract work | Part-time hours | Potential extension | Remote work

Senior-level Full Time

Poland R

18d ago

Chemistry Expert (Sweden) USD 80K-80K

Cheminformatics | Computational Chemistry | Molecular Modeling | Numerical Methods | Python

Remote work

Senior-level Full Time

Sweden R

18d ago

Chemistry Expert (Romania) USD 80K-80K

Analytical Chemistry | Cheminformatics | Computational Chemistry | Molecular Modeling | NumPy

Contract work | Part-time hours | Potential project extension | Remote work

Senior-level Full Time

Poland R

18d ago

Chemistry Expert (Portugal) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | NumPy

Remote work

Senior-level Full Time

Portugal R

18d ago

Chemistry Expert (Poland) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | Numerical Methods

Contract employment | Part-time hours | Potential contract extension | Remote work

Senior-level Full Time

Poland R

18d ago

Chemistry Expert (Netherlands) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | Numerical Methods

Flexible hours | Remote work

Senior-level Full Time

Netherlands R

18d ago

Chemistry Expert (Italy) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | Numerical Methods

Flexible part-time schedule | Remote work

Senior-level Full Time

Italy R

18d ago

Chemistry Expert (France) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | Numerical Methods

Flexible schedule | Remote work

Senior-level Full Time

France R

18d ago

Chemistry Expert (Finland) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | Numerical Methods

Part-time schedule | Remote work

Senior-level Full Time

Finland R

18d ago

Chemistry Expert (Remote - Europe/LATAM) USD 80K-80K

Chemical Modeling | Cheminformatics | Computational Chemistry | Molecular Modeling | Numerical Methods

Contract work | Flexible hours | Potential extension | Remote work

Senior-level Full Time

Fully Remote R

18d ago

Chemistry Expert (Egypt) USD 80K-80K

Cheminformatics | Computational Chemistry | Molecular Modeling | Numerical Methods | Python

Contract work | Flexible hours | Part-time schedule | Remote work

Senior-level Full Time

Poland R

18d ago

Chemistry Expert (Czech Republic) USD 80K-80K

Cheminformatics | Computational Chemistry | Molecular Modeling | Numerical Methods | Python

Contract work | Remote work

Senior-level Full Time

Poland R

18d ago

Chemistry Expert (Mexico) USD 80K-80K

Cheminformatics | Computational Chemistry | Data Analysis | Molecular Modeling | Numerical Methods

Flexible hours | Remote work

Senior-level Full Time

Mexico - Fully Remote R

18d ago

Senior Scientist, Antibody Developability/Biophysics & Portfolio Support, AI for Drug Discovery (AIDD) USD 168K-312K

Antibody engineering | Biophysics Modeling | Computational Biology | Computational Chemistry | Developability assessment

Senior-level Full Time

South San Francisco, United States

19d ago

Senior Scientist, Machine Learning USD 168K-258K

Binder Prediction | Cloud Computing | Computational Docking | Data benchmarking | Dataset curation

Free coffee | Free snacks | Monthly social events | Weekly lunches

Senior-level Full Time

Cambridge, MA USA

1mo ago

Senior Machine Learning Scientist II, Drug Discovery Analytics USD 251K-295K

Cloud Computing | Data Analysis | Data Visualization | Deep learning | Ensemble Methods

Senior-level Full Time

Redwood City, California, United States

1mo ago

Research Scientist - Computational Chemistry USD 150K-185K

Alphafold | AutoDock4 | Autodock Vina | Cheminformatics | FreeSASA

On-site work

Senior-level Full Time

East Bay

1mo ago

Sr. Scientist, Computational Chemistry USD 110K-151K

Artificial Intelligence | C plus plus | Cheminformatics | Data Analysis | Diversity Analysis

Dental insurance | Health insurance | Medical leave | Paid Holidays | Paid caregiver/parental leave

Senior-level Full Time

US CA San Diego, United States

1mo ago

Scientific Director, Computational Chemistry USD 218K-298K

ADME-Tox | Cheminformatics | Cheminformatics Methods | Cloud Computing | Data Analysis

Health benefits | Medical leave | Paid Holidays | Paid caregiver/parental leave | Paid personal days

Executive-level Full Time

US CA San Diego, United States

1mo ago

Principal Scientist, Computational Chemistry USD 165K-190K

Cheminformatics | Cheminformatics Data Formats | Data Formats | Data Pipelines | Docking

401k match | Deductible Support | Family forming support | Family medical leave | Gym membership

Senior-level Full Time

Boulder, Colorado, United States

1mo ago

Research Investigator, Computational Chemistry USD 180K-210K

Cheminformatics | Cheminformatics Pipelines | Cheminformatics Standards | Computational Chemistry | Drug design

401k match | Family medical leave | Gym facilities | Inclusive Family Forming Support | Medical, dental & vision coverage

Senior-level Full Time

Boulder, Colorado, United States

1mo ago

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