• 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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  • 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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  • 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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  • Post Doctoral Research Associate

    New Jersey Institute of Technology (Newark, NJ)
    …per- and polyfluoroalkyl substances (PFAS). This role will primarily support Molecular Dynamics simulations and PFAS interface behavior experimental refinement ... optimization of sonochemical reactor. Essential Functions: -Develop and conduct ReaxFF-based Molecular Dynamics simulations using LAMMPS to study: PFAS… more
    New Jersey Institute of Technology (08/08/25)
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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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  • Post-Doctoral Scientist - Bioproduct Research…

    Lilly (Indianapolis, IN)
    …SAXS (Small Angle X-ray Scattering), Neutron scattering + Familiarity with coarse-grained molecular dynamics (MD) simulations is preferred; a strong interest and ... drug product. This role focuses on translating mechanistic insights at the molecular level into robust platform formulation strategies that enable the next… more
    Lilly (07/11/25)
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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 (08/08/25)
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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 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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  • 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 ... + Develop and update semi-empirical and theoretical models. + Analyze/model molecular contamination and transport of contaminants from materials outgassing lunar… more
    Mb Solutions, Inc. (06/03/25)
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