• Assistant Professor, Biochemistry…

    UTMB Health (Galveston, TX)
    …and genome organization and gene regulation using polymer/statistical-mechanics modeling, molecular dynamics , and machine learning integrated with genomic ... Assistant Professor, Biochemistry and Molecular Biology **Galveston, Texas, United States** **New** Faculty UTMB Health Requisition # 2504487 **JOB DESCRIPTION:**… more
    UTMB Health (08/23/25)
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  • Postdoctoral Appointee - Exascale Molecular

    Argonne National Laboratory (Lemont, IL)
    …expect to work on enhancing the performance and scalability of large-scale molecular dynamics simulations (eg LAMMPS) using machine-learned potentials (eg MACE) ... and Teamwork Desired skills, knowledge and abilities: + Experience with large-scale molecular dynamics (MD) simulations using software, such as LAMMPS, and… more
    Argonne National Laboratory (07/21/25)
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  • Post Doctoral Associate in the Center…

    University of Florida (Gainesville, FL)
    …Successful candidates will work on spin transitions and magnetoelectric couplings in molecular magnetic systems, dynamics , and decoherence of spin and clock ... Post Doctoral Associate in the Center for Molecular Magnetic Quantum Materials (M2QM) Apply now (https://secure.dc4.pageuppeople.com/apply/674/gateway/default.aspx?c=apply&lJobID=524153&lJobSourceTypeID=796&sLanguage=en-us)… more
    University of Florida (08/27/25)
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  • Research Associate-Fixed Term

    Michigan State University (East Lansing, MI)
    …the Vermaas lab leverages computational methods such as atomistic or coarse-grained molecular dynamics simulations with both classical and machine-learned force ... fields to study key questions around these topics. By using and developing these molecular simulation tools, the Vermaas lab seeks to create a molecular -level… more
    Michigan State University (06/18/25)
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  • Post Doctoral Associate (Jones Lab)…

    New York University (New York, NY)
    …to perform interdisciplinary work on studying RNA structure, RNA-protein interactions, and dynamics , with a molecular glue focus. Successful applicants will be ... binding assays iii) Experience with studying and screening of PROTACs and/or molecular glue degraders iv) Experience with cellular biology The candidate will also… more
    New York University (08/27/25)
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  • Computational Bio-Inorganic Interface Scientist

    Battelle Memorial Institute (Columbus, OH)
    …+ Develop and apply molecular modeling and simulation techniques (eg, molecular dynamics , Monte Carlo, quantum mechanics/ molecular mechanics) to study ... nanoscience, and engineering to bridge the fields of life science and molecular electronics to work at the forefront of bioelectronics and microdevice innovation.… more
    Battelle Memorial Institute (07/12/25)
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  • Research Scientist Intern, Computational Chemist…

    Meta (Redmond, WA)
    …strengths, and limitations in modeling catalytic systems 9. Hands-on experience running molecular dynamics (MD) or Monte Carlo (MC) simulations to study ... approaches of first-principle simulations to understand the optical properties of molecular systems and inorganics. 4. Conduct independent research and explore the… more
    Meta (08/23/25)
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  • Senior Scientific Director, Computational…

    Takeda Pharmaceuticals (Boston, MA)
    …candidate selection * Extensive knowledge of computational chemistry tools, including docking, molecular dynamics , FEP, QSAR modeling, and generative AI * Strong ... closely with global chemistry, structural biology, DMPK, and safety experts for molecular design and help to define a roadmap for computational tools that… more
    Takeda Pharmaceuticals (08/02/25)
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  • Postdoctoral Fellow-Msh-30001-323

    Mount Sinai Health System (New York, NY)
    …and protein-ligand complexes. + Contribute to structure-assisted drug design. + Perform molecular dynamics simulations and QM/MM calculations. + Publish research ... , you will contribute to the investigation of the structure and dynamics of disease-related proteins using single-particle cryo-EM, X-ray diffraction, and … more
    Mount Sinai Health System (08/22/25)
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  • Postdoctoral Appointee - Bragg Coherent…

    Argonne National Laboratory (Lemont, IL)
    …optics and wave propagation models with realistic sample simulations based on dislocation dynamics and molecular dynamics of relevant materials. Significant ... or x-ray microscopy methods. + Knowledge of crystallography. + Experience with molecular modeling of crystals, dislocation dynamics , and defect analysis, linking… more
    Argonne National Laboratory (08/21/25)
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