• Post Doctoral Associate (Hocky Group)

    New York University (NY)
    …plans for continual expansion. We are also members of the Simons Center for Computational Physical Chemistry , which provides a world class training ... motivated individual who wishes to perform postdoctoral research in theoretical and computational chemistry and biophysics. The primary research topics involve… more
    New York University (08/07/25)
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  • Postdoctoral Appointee - Computational

    Argonne National Laboratory (Lemont, IL)
    …PhD (within the last 0-5 years) in field of physical chemistry , inorganic chemistry , computational materials science, or chemical engineering ... is seeking applicants for a postdoctoral appointee who will conduct computational research in Selective Interface Reactions (eg, atomic layer deposition (ALD).… more
    Argonne National Laboratory (05/31/25)
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  • Senior Scientific Director, Computational

    Takeda Pharmaceuticals (Boston, MA)
    …small molecules, bifunctional degraders, and RNA/oligonucleotides by leveraging computational chemistry and cheminformatics methods to design ... junior members of the team. The person will be tightly integrated into the computational chemistry team and also provide timely and innovative designs and… more
    Takeda Pharmaceuticals (08/02/25)
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  • Computational Beamline Scientist…

    SLAC National Accelerator Laboratory (Menlo Park, CA)
    Computational Beamline Scientist - Condensed Phase Chemistry Job ID 6463 Location SLAC - Menlo Park, CA Full-Time Temporary **SLAC Job Postings** **Position ... LCLS seeks candidates for the new role of a computational beamline scientist. The candidate is expected to join...candidate is expected to join both the condensed phase chemistry team, which currently performs and supports research at… more
    SLAC National Accelerator Laboratory (07/15/25)
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  • Computational ADMET Group Lead

    Lilly (Indianapolis, IN)
    …effective multi-property optimization strategies. **Basic Requirements** : + PhD in computational chemistry , cheminformatics, computational biology or a ... scientific approaches. We are seeking an experienced leader for our cross-site computational ADME/Tox AI/ML modeling team. The candidate should have a passion for… more
    Lilly (08/10/25)
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  • Computational Scientist

    Battelle Energy Alliance dba Idaho National Laboratory (Idaho Falls, ID)
    …fracture mechanics, engineering contact mechanics, computational materials science, computational fluid dynamics, computational chemistry , radiation ... Idaho National Laboratory is hiring a Computational Scientist to work on our Computational...on depth and breadth of proven experience and skills. * Physical Requirements* While performing the duties of this classification,… more
    Battelle Energy Alliance dba Idaho National Laboratory (08/08/25)
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  • Computational Fluid Dynamics with Chemical…

    Battelle Energy Alliance dba Idaho National Laboratory (Idaho Falls, ID)
    …On-site position in Idaho Falls, Idaho. *Preferred Experience: * * Computational chemistry or thermodynamics (FACSIMILE, Cantera, CHEMKIN, FactSage, ThermoCalc) ... chemical reactions. Reporting to the project investigator, this role focuses on computational analysis to support tank waste vitrification and spent nuclear fuel dry… more
    Battelle Energy Alliance dba Idaho National Laboratory (08/08/25)
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  • Advisor - Fragment-based Computational

    Lilly (Louisville, CO)
    …**Position Summary** Lilly Small Molecule Discovery is seeking a ** Computational Scientist** to join our **Novel** **Platforms** **Fragment-based Discovery** team. ... key contributor to an interdisciplinary initiative spanning structural biology, biophysics, chemistry , and AI systems, with the mission of transforming how fragments… more
    Lilly (08/11/25)
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  • Advisor - Computational Modeling…

    Lilly (Boston, MA)
    …diverse and high-performing team. **Responsibilities:** + Drug Delivery Modeling: Lead computational modeling efforts in subcutaneous drug delivery and other drug ... other complex formulations + Cross-Functional Collaboration: Partner with synthetic chemistry , discovery, toxicology, ADME, analytical, and device to support drug… more
    Lilly (06/21/25)
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  • Sr. Advisor / Scientific Director - Medicinal…

    Lilly (San Diego, CA)
    …state-of-the-art structure-based drug design technologies and partner with colleagues in computational chemistry , structural biology and in vitro pharmacology to ... collaborative and foster seamless collaborations with integrated pharmacology, structural biology, computational and medicinal chemistry teams to propose novel… more
    Lilly (07/22/25)
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