41 computational chemist jobs at 28 companies in United States
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Computational Medicinal Chemist
San Diego, California, United States
$126k-$257k/yrHybridFull Time
NovartisNew York Stock Exchange: NVS: Develops and manufactures innovative prescription medicines for patients.
3+ YOEPhD in medicinal/computational chemistry or related field (MS with 6+ years considered),3+ years drug-discovery experience, proven analogue design impact, familiarity with computational drug-design tools, strong communication and data-visualization skills.
Aralez Bio: Produces noncanonical amino acids for drug development through biocatalysis.
2+ YOEPh.D. or Master’s in computational chemistry/chemoinformatics,2+ years post-grad experience,expertise in ML for molecular property prediction,chemoinformatics (RDKit),Python,data pipelines,SQL,strong communication with lab scientists.
Eli Lilly and CompanyNYSE: LLY: Researches and manufactures medicines for human health.
Ph.D. required by Aug 2026; authorized to work in the US (no visa sponsorship). Expertise in quantum mechanics, molecular dynamics, free energy methods, scripting (Python), HPC, and cheminformatics; strong collaboration and communication skills.
Astellas PharmaTokyo Stock Exchange: 4503: Global developing and manufacturing pharmaceutical therapies for patients.
5+ YOEPh.D. (or M.S.+5yrs) in computational/medicinal chemistry, experience in small-molecule drug discovery, AI-driven design, molecular modeling, CRO management, and proficiency with scientific programming and modeling software.
PfizerNYSE: PFE: Develops and manufactures vaccines and medicines for global healthcare
2+ YOEPhD in computational chemistry, 2+ years postdoc or 2+ years industry experience, strong physics-based and ML computational modeling, scripting (Python, shells), HPC/Linux familiarity, collaboration and problem-solving skills.
Assistant Computational Chemist / Chemical Engineer – Catalysis
Lemont, Illinois, United States
$94k-$147k/yrOnsiteFull Time
Argonne National Laboratory: Conducts scientific research and develops advanced energy technologies.
3+ YOEPhD in physical chemistry, inorganic chemistry, computational materials science, chemical engineering, or related field; 3–6 years postdoctoral experience; strong modeling, coding (Python), and spectroscopy experience.
Arrowhead PharmaceuticalsNASDAQ: ARWR: Develops RNAi medicines to treat genetic and intractable diseases.
Bachelor's or Master's in a related field; strong Python, Linux, and Git skills; foundational statistics and ML knowledge; experience with biological/omics datasets, reproducible workflows, and scientific software; PhD preferred for senior levels.
Senior Scientist - Principal Scientist, Computational Chemistry
Boston, Massachusetts, United States
OnsiteFull Time
Superluminal Medicines: Accelerates small molecule drug discovery using generative AI.
1+ YOEPhD in Computational Chemistry or related field; 1-3+ years biotech/pharma experience; strong physics-based and ML modeling; excellent communication; design-experience with medicinal chemistry; structure-based drug discovery innovation.
Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design
Boston, Massachusetts, United States
$185k-$240k/yrHybridFull Time
Antares Therapeutics: Develops precision medicines for cancer and serious diseases.
10+ YOEPhD or equivalent experience in computational chemistry or related field; 10+ years' drug discovery experience for Principal (12+ for Senior Principal); expertise in structure- and ligand-based design, molecular dynamics, free energy methods, ML-driven design; strong communication.
Schr\u0000dinger, MOE, OpenEye, Python, Claude Code, Codex
Dunn-EdwardsTokyo Stock Exchange: 4612: Manufactures and distributes architectural and industrial paints and coatings.
4+ YOEBachelor's degree plus 4+ years coatings/formulation experience (or MS/PhD with 1+ year); coatings experience required; DOE and Six Sigma experience preferred; strong communication, math, and computer skills; adherence to EHS and PPE requirements.
Microsoft Office, database systems, project management software, statistical software
VeoliaEuronext Paris: VIE: Provides water, waste, and energy management services globally.
5+ YOEBachelor in Chemistry; 5-6 years hazardous waste experience; 1-2 years supervisory experience; OSHA HAZWOPER certification; strong computer and communication skills.
Haynes International: Manufactures high-performance nickel and cobalt-based superalloys.
2+ YOEBS in Chemistry or science field; MS in Chemistry or science field preferred; 2 years in a laboratory; knowledge of XRF, ICP, OES; analytical chemistry skills; strong writing and computer skills.
Certified Group: Provides laboratory testing, regulatory consulting, and certification services.
2+ YOEBA/BS in chemistry or 2-3 years relevant lab experience; knowledge of GMP/GLP/GDP, strong quantitative and troubleshooting skills, high computer literacy, familiarity with data acquisition software.
Sherwin-WilliamsNYSE: SHW: Global manufacturer and distributor of paints and protective coatings.
5+ YOEBachelor's in STEM, 5+ years coatings formulation experience with waterborne systems and pigment dispersions, color matching ability, computer/data skills; eligible to work without sponsorship.
RQM+: Provides regulatory, quality, and clinical trial services for MedTech.
5+ YOEBachelor's in a relevant field with 5+ years' experience (Master's with 0-3 years acceptable). Proficiency with HPLC/GC/LCMS/GCMS, analytical method development, regulatory techniques, strong communication and computer skills.
IndovinyaStock Exchange of Thailand: IVL: Manufactures specialty chemicals and surfactants for diverse industrial applications.
0+ YOEBS in relevant science or equivalent experience, 0-3 years lab research experience (more preferred), hands-on lab work with Parr reactors and analytical techniques, documentation and safety compliance, computer literacy, bilingual Portuguese/Spanish preferred.
Parr Reactors, PMOx, databases, word processing, spreadsheets
Superior Industrial Solutions: Distributes industrial chemicals and provides manufacturing and waste services.
Bachelor's degree in chemistry/biology/science required; familiarity with GC, Karl Fischer, viscometer, densitometer; prior QC experience preferred; strong problem-solving, teamwork, computer and communication skills.
Gas Chromatograph (GC), Karl Fischer (KF), Viscometer, Densitometer