• 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) ... more
    Argonne National Laboratory (01/20/25)
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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 ... more
    University of Florida (01/13/25)
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  • Post Doctoral Fellow - The Hadden Lab

    University of Delaware (Newark, DE)
    …of Delaware is seeking a postdoctoral fellow. The Hadden Lab specializes in molecular dynamics simulations of viral proteins and their assemblies, particularly ... more
    University of Delaware (01/17/25)
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  • TTU Post Doctoral Research Associate

    Texas Tech University (Lubbock, TX)
    …Recognition, Multi-scale Simulations, and Statistical Sampling to advance research projects. Conduct molecular docking and molecular dynamics simulations of ... more
    Texas Tech University (02/11/25)
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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 ... more
    Michigan State University (03/19/25)
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  • Postdoctoral Appointee - Ferroelectric Simulations

    Argonne National Laboratory (Lemont, IL)
    …Chicago, USA). The postdoctoral researcher will work on the development of large-scale molecular dynamics , AI and machine learning based analysis to understand ... more
    Argonne National Laboratory (03/11/25)
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  • Research Associate-Fixed Term

    Michigan State University (East Lansing, MI)
    …in cryo-EM data processing and structure determination. + Experience in molecular dynamics simulations. + Strong analytical, organizational, and communication ... more
    Michigan State University (02/15/25)
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  • Post Doctoral Fellow- Perilla Lab

    University of Delaware (Newark, DE)
    …virus. Preference will be given to applications with expertise in 1) protein dynamics ; 2) molecular dynamics simulations; and 3) high-performance computing ... more
    University of Delaware (02/04/25)
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  • Sr. Scientist, Computational Chemistry

    VeriSIM Life (CA)
    …if they demonstrate exceptional skills and expertise. + Strong expertise in molecular dynamics (MD), quantum mechanics (QM), docking, homology modeling, and ... more
    VeriSIM Life (02/09/25)
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  • Materials Science Education Specialist

    Schrodinger (San Diego, CA)
    …25 years of experience developing software solutions for quantum mechanics, molecular dynamics , and machine learning-based chemical simulation and prediction. ... more
    Schrodinger (01/17/25)
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  • Research Associate-Fixed Term

    Michigan State University (East Lansing, MI)
    …requires the development and application of advanced computational tools such as molecular dynamics simulations and novel machine learning approaches. Research ... more
    Michigan State University (03/19/25)
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  • Summer 2025, Material Scientist / Thin Film…

    Western Digital (Fremont, CA)
    …in one or more of the following areas: materials modeling, atomic simulations, molecular dynamics , and density functional theory (DFT). The intern will work ... more
    Western Digital (02/14/25)
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  • Postdoctoral Fellow-Msh-30001-321

    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 ... more
    Mount Sinai Health System (02/16/25)
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  • Head of Computational Chemistry

    Takeda Pharmaceuticals (Boston, MA)
    …candidate selection + Extensive knowledge of computational chemistry tools, including docking, molecular dynamics , FEP, QSAR modeling, and generative AI + Strong ... more
    Takeda Pharmaceuticals (02/08/25)
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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 ... more
    Argonne National Laboratory (02/21/25)
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  • University Recruiting - Discovery Chemistry…

    Merck (Rahway, NJ)
    …or data management, or molecular modeling approaches such as docking, molecular dynamics , protein design, small molecule design, peptide design, quantum ... more
    Merck (03/14/25)
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  • Post Doctoral Associate (Hocky Group)

    New York University (NY)
    …bash scripting, use of various sized computing resources, and skills running common Molecular Dynamics packages such as Gromacs, Amber, LAMMPS or similar. The ... more
    New York University (03/11/25)
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  • Postdoctoral Associate - Nettles Lab

    University of Florida (Palm Beach, FL)
    …structural biology. Willingness to learn or existing expertise in python, R, molecular dynamics simulations, or machine learning is advantageous. Expected ... more
    University of Florida (01/22/25)
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  • Space Environments Engineer

    Mb Solutions, Inc. (Houston, TX)
    …outgassing, molecular transport, thin film deposition, optical property degradation, molecular gas dynamics , and/or multi-phase flows. + Experience with ... more
    Mb Solutions, Inc. (03/04/25)
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  • Materials Science Force Field Intern

    Schrodinger (San Diego, CA)
    …at the atomic scale + A student of materials or life science who has applied molecular dynamics and DFT methods in model validation + A critical thinker who's ... more
    Schrodinger (03/04/25)
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