• Battery Cell Electrochemistry and Molecular

    General Motors (Warren, MI)
    …tools using Python, Java, or equivalent + Development of new and innovative Molecular Dynamics simulations related to battery cell performance and manufacturing ... + Utilize cutting edge AI/ML methods to automate data processing and model development. **Additional Job Description** **Your Skills & Abilities (Required Qualifications)** + BSE in Chemical, Electrochemical, Materials, Electrical, or Mechanical Engineering +… more
    General Motors (06/11/25)
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  • 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 (North Chicago, IL)
    …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 (06/14/25)
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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 (03/19/25)
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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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  • 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 ... and develop new scientific tools for the analysis of long-time and/or large-scale molecular dynamics simulations in collaboration with the PI. The postdoctoral… more
    University of Delaware (05/06/25)
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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 (03/19/25)
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  • Senior Scientist, Material Science

    ADM (Decatur, IL)
    …to support material library design and research with familiarity in Python, Molecular Dynamics Simulations and MATLAB. Utilize advanced data interpretation ... bioactive ingredientssuch as preservatives, flavors, vitamins and minerals; *General molecular modeling techniques, including molecular simulation, quantum… more
    ADM (06/10/25)
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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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  • 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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  • Space Environment Engineer (Adv000ak1)

    CGI Technologies and 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 contamination sources (such as… more
    CGI Technologies and Solutions, Inc. (05/13/25)
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  • Space Environment Engineer

    Amentum (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 contamination sources (such as… more
    Amentum (04/19/25)
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  • Advisor - Fragment-based Computational Design

    Lilly (San Francisco, CA)
    …Hands-on experience with biophysical assays for protein characterization, binding analysis and Molecular Dynamics (MD). + Experience in X-ray crystallography and ... technologies to improve hit finding, mechanism of action exploration, and molecular design. Through agile, hypothesis-driven research, we turn high-potential ideas… more
    Lilly (06/15/25)
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  • Postdoctoral Appointee - Computational Biology…

    Argonne National Laboratory (Lemont, IL)
    …GenSLMs + Developing scalable models that can, when integrated with high throughput molecular dynamics simulations, predict emerging and new variants of interest ... applied to biological sequences + Familiarity with the theory behind modern molecular biology techniques + Knowledge of HPC environments, cloud computing, or… more
    Argonne National Laboratory (06/03/25)
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  • Postdoctoral Associate - Tuckerman Lab

    New York University (NY)
    …working in theoretical and computational chemistry and have research experience in molecular dynamics and path integral simulation methods, machine learning ... The research will focus on the use of classical and quantum molecular simulation and machine learning techniques to understand charge transport mechanisms in… more
    New York University (05/08/25)
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  • Assistant Academic Research Scientist, School…

    Emory Healthcare/Emory University (Atlanta, GA)
    …should have experience with the following software: Schrodinger (Maestro, Glide, molecular dynamics ), Cresset (Flare, FEP), and GraphPad. Ideal candidate ... and/or translational research programs. This position will be tasked with performing molecular modeling and computer aided drug design including docking, QSAR, core… more
    Emory Healthcare/Emory University (04/19/25)
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