- Merck & Co. (South San Francisco, CA)
- …technologies to revolutionize drug discovery and development? The Pharmacokinetics, Dynamics , Metabolism, and Bioanalytics (PDMB) department of Research Laboratories ... and accurate documentation.Preferred Experience and Skills: -Knowledge of Chemistry, Molecular Biology, Biochemistry. -The ability to influence scientists to adapt… more
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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 ... studying the effect of force in biophysical contexts using molecular simulations and theory. The type of project ranges...an offer. The successful applicant will have experience in molecular modeling and simulation and must hold a Ph.D.… more
- University of Kansas (Lawrence, KS)
- …researcher will be responsible for performing quantum mechanical (QM) calculations, molecular dynamics (MD) simulations, and force field parameterization to ... high-salinity water treatment** , and **separations** . The researcher will employ ** molecular dynamics (MD)** and **quantum mechanical (QM)** methods to develop… more
- Applied Materials (Santa Clara, CA)
- …computational models at the atomic scale leveraging a combination of Ab-initio, Molecular Dynamics , Artificial Intelligence, and Machine Learning techniques. The ... with: + First Principles/Ab-initio/Density Functional Theory (local orbital and plane wave), Molecular Dynamics , and/or Monte Carlo methods + Machine learning… more
- 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
- Lilly (San Diego, 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
- 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
- University of Miami (Coral Gables, FL)
- …science, artificial intelligence, machine learning, modern design and optimization, and molecular dynamics for catalysis, energy storage and conversion, smart ... and Computing (https://idsc.miami.edu/) and Frost Institute for Chemistry and Molecular Science (https://ficms.as.miami.edu/index.html) at the University of Miami and… more
- University of North Carolina- Chapel Hill (Chapel Hill, NC)
- …python, Fortran, C++ and CUDA ), expertise in computational modeling (such as Molecular Dynamics , virtual screening, free energy calculations and Deep Learning), ... is looking for two highly motivated Postdoctoral fellows to work on accelerated molecular simulations and AI-driven drug discovery. Research projects in the Miao Lab… more
- 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 (NY)
- …with animal models, tissue and cellular methods, wet bench lab skills including molecular imaging, cell biology and dynamics , molecular biology, and ... The Aydin Lab in the Department of Molecular Pathobiology at New York University College of...a combination of physiology, biochemistry, cell biology tools, and molecular and functional imaging techniques. The qualified candidate will… more
