• Associate Director, Computational

    Takeda Pharmaceuticals (Boston, MA)
    …life-changing therapies to patients worldwide. **_Objective / Purpose:_** + As a Senior Computational Chemistry Leader, you will work as part of a ... role supports small molecule research initiatives across Takeda research sites, leading computational chemistry efforts to drive project progression at both… more
    Takeda Pharmaceuticals (11/05/25)
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  • Principal Scientist, Computational

    Frontier Medicines (Boston, MA)
    …seeking a highly motivated individual to fill the position of Principal Scientist, Computational Chemistry . The successful candidate will play a leading role in ... What will you be doing? + Design, execute, and analyze computational chemistry studies using a wide range of ligand-based, structure-based, and physics-based… more
    Frontier Medicines (11/04/25)
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  • Software Engineer - Cheminformatics…

    ManpowerGroup (Columbus, OH)
    **Principal Scientist - Cheminformatics & Computational Chemistry ** **Location: Columbus OH** **On-Site** **Rate: $55hr with benefits | does not include PTO** ... accomplished and visionary **Principal Scientist** to lead cheminformatics and computational chemistry initiatives. This role combines deep scientific… more
    ManpowerGroup (10/03/25)
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  • Postdoctoral Appointee - Computational

    Argonne National Laboratory (Lemont, IL)
    …for energy storage and conversion and their characterization with advanced computational chemistry tools, including molecular dynamics, density functional theory ... (HPC) systems and intelligent workflows. + Demonstrated expertise combining AI and computational chemistry software in HPC platforms for materials science… more
    Argonne National Laboratory (12/18/25)
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  • Principal OR Sr. Principal Computational

    Northrop Grumman (Jessup, MD)
    …Principal Computational Scientist:** + Bachelor's degree in applied mathematics, computational chemistry , computer science, physics or a relevant STEM field ... 5 years of relevant technical experience; Master's degree in applied mathematics, computational chemistry , computer science, physics or a relevant STEM field… more
    Northrop Grumman (12/05/25)
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  • Computational Chemist Lead

    Astellas Pharma (Cambridge, MA)
    …**Purpose:** This role supports drug discovery efforts by applying advanced computational chemistry techniques to design and optimize small-molecule ... candidate will lead strategy across multiple programs and shapes the computational chemistry platform/standards in Innovation Lab, working closely with… more
    Astellas Pharma (10/11/25)
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  • Associate or Full Professor - Computational

    CUNY (New York, NY)
    …Biochemistry seeks a mid- to senior-career hire (Associate/Full Professor) in Computational Chemistry /Materials Science, or closely related field. The successful ... research effort building on research strengths in bio-inspired materials, sustainable chemistry , nanotechnology and computational chemistry , with a… more
    CUNY (11/21/25)
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  • Senior Computational Chemist

    Fujifilm (Mesa, AZ)
    …+ PhD in Chemistry , Computer Science, Materials Science, Chemical Engineering, Computational Chemistry or a related field with 2 plus years of ... an exciting opportunity at our Mesa, AZ facility for a **Senior Computational Chemist!** With state-of-the-art manufacturing facilities in the US, Europe, Taiwan,… more
    Fujifilm (12/16/25)
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  • Post Doctoral Associate (Jones Lab) - RNA…

    New York University (New York, NY)
    …RNA structure, RNA-protein interactions, and dynamics, with a machine learning and computational chemistry focus. Successful applicants will be highly motivated ... The Jonesy lab in the Chemistry Department of NYU is looking for a...must hold a Ph.D. degree in a related field ( Chemistry , Biochemistry, Chemical Biology, Biophysics). The ideal candidate will… more
    New York University (11/26/25)
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  • Executive Director, Computational Safety

    Boehringer Ingelheim (Ridgefield, CT)
    …and influence global governance. **Requirements** * Ph.D. degree in Computational Biology/ Chemistry /Toxicology, Bioinformatics, Computer Science, Data Science, ... We are seeking a visionary leader to build and lead our Computational Safety team, shaping strategy and delivering impactful solutions across therapeutic portfolios.… more
    Boehringer Ingelheim (12/06/25)
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  • Tenure-track Faculty in Structural…

    University of Texas Rio Grande Valley (Brownsville, TX)
    …in medicinal chemistry , food chemistry , natural product chemistry , computational chemistry and drug-design, cancer, neurobiology, organellar ... Position Information Posting NumberFRGV1932 Working TitleTenure-track Faculty in Structural Chemistry , School of Integrative Biological and Chemical Sciences, College… more
    University of Texas Rio Grande Valley (11/22/25)
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  • HMS - Research Associate in SBGrid, Department…

    Harvard University (Cambridge, MA)
    …encapsulated, ready-to-run applications spanning crystallography, cryo-EM, NMR , visualization, computational chemistry , and supporting tools, delivered across ... Title HMS - Research Associate in SBGrid, Department of Biological Chemistry and Molecular Pharmacology School Harvard Medical School Department/Area Position… more
    Harvard University (10/22/25)
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  • Assistant Professor - Computational Earth…

    Stony Brook University (Stony Brook, NY)
    …to carry out a program of research in the broadly-defined area of computational materials chemistry with applications to the geosciences that may complement ... fundability of research, + experience with, and demonstrated expertise in computational materials chemistry , + potential for collaboration within the… more
    Stony Brook University (09/27/25)
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  • Computational Infrastructure Scientist…

    Lilly (Indianapolis, IN)
    …to promote reuse and institutional knowledge. **Basic Qualifications:** + PhD in Computational Biology, Chemistry , Bioinformatics, or a related scientific field. ... to make life better for people around the world. We are seeking a Computational Infrastructure Scientist to help build and extend the data systems that power… more
    Lilly (11/21/25)
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  • Computational Biologist, Principal…

    Bayer (Cambridge, MA)
    …+ PhD degree with post-graduation experience in Sciences (Bioinformatics, Computational Biology, Biology, Chemistry , Genetics, Computer Science, Informatics, ... + 5+ years of post-graduation experience in Sciences (Bioinformatics, Computational Biology, Biology, Chemistry , Genetics, Computer Science, Informatics,… more
    Bayer (12/03/25)
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  • Sr. Director/Exec. Director of Cheminformatics…

    Lilly (Indianapolis, IN)
    …multiple projects and mechanisms. **Basic Requirements** : + PhD in Cheminformatics, Computational Chemistry , or related field with 7+ years relevant research ... in Spotfire). + Demonstrated growth mindset, whilst maintaining close collaboration among computational chemistry leaders, elevating the global computational more
    Lilly (12/05/25)
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  • Assistant Professor

    University of Colorado (Aurora, CO)
    …Pharmaceutical Sciences, or a related science + Demonstrated expertise in medicinal chemistry and computational chemistry including cheminformatics as ... We seek an outstanding medicinal chemist with a background in synthetic organic chemistry , chemical biology, and computational chemistry with therapeutic… more
    University of Colorado (12/06/25)
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  • Sr. Scientist, Cheminformatics

    Takeda Pharmaceuticals (Boston, MA)
    …role will be key to fostering a "prediction-first" culture, integrating cheminformatics, computational chemistry , and machine learning to accelerate drug design. ... and biological datasets. + Stay updated with emerging trends in computational chemistry and machine learning as applied to drug discovery.Implement and execute… more
    Takeda Pharmaceuticals (11/19/25)
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  • Material and Analytical Sciences - Co-Op

    Boehringer Ingelheim (Ridgefield, CT)
    …at least 9 credit hours at current college or university. + Strong computational chemistry background with hands-on DFT experience (CASTEP, Gaussian, ORCA, ... pharmaceutical solid-state structure determination through an innovative integration of computational and experimental approaches. You will develop a rapid workflow… more
    Boehringer Ingelheim (10/01/25)
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  • Senior Data Scientist, Pharmacology / Quantitative…

    Merck (West Point, PA)
    …Biomedical Sciences, Biopharmaceutics, Biostatistics, Cell Physiology, Clinical Immunology, Computational Biology, Computational Chemistry , Computer ... (with 3 years) or Ph.D. in Biology, Pharmacology, Data Science, Biostatistics, Computational Biology/ Chemistry or other related life sciences field and relevant… more
    Merck (11/18/25)
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