• Associate Principal Scientist: Molecular

    Merck (West Point, PA)
    …including critical IT collaborators. **Primary Responsibilities** + Expert execution of atomistic molecular modeling and molecular dynamics simulations + ... molecules, peptides, biologics, conjugates, and vaccines) + Expertise in executing molecular dynamics simulations of multi-component systems + Expertise across… more
    Merck (06/07/25)
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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 (04/21/25)
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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 (04/13/25)
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  • Senior Scientist I Computational Chemistry

    AbbVie (Worcester, MA)
    …developing hierarchical modeling approaches, including physics-based atomistic modeling, encompassing Molecular Dynamics (MD) and Quantum Mechanics (QM), Machine ... a strong background in the area such as quantum mechanics, atomistic molecular simulations ( molecular dynamics ) and AI/machine learning. Responsibilities… more
    AbbVie (06/21/25)
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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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  • 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 ... data to resolve high-resolution structures and protein conformational states. + Perform molecular simulations to explore altered protein dynamics and ligand… more
    Michigan State University (05/16/25)
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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 ... in the laboratory of Michael Feig in the Department of Biochemistry and Molecular Biology at Michigan State University. The Research Associate will focus on… more
    Michigan State University (06/18/25)
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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 ... , 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 (05/18/25)
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  • Postdoctoral Fellow - Large Molecule Discovery…

    Amgen (Thousand Oaks, CA)
    …+ A working understanding of Python programming. + A working understanding of molecular dynamics packages. **Preferred Qualifications:** + A doctorate PhD in ... or scikit-learn will be advantageous. + A working understanding of molecular dynamics , such as Molecular Operating Environment (MOE) and/or Schrodinger… more
    Amgen (05/09/25)
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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 (05/22/25)
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