- 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
- 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
- Lilly (Louisville, CO)
- …including Quantitative Structural Activity Relationship (QSAR) models, homology modeling, molecular dynamics simulations, multivariate analysis, and in silico ... including Quantitative Structural Activity Relationship (QSAR) models, homology modeling, molecular dynamics simulations, multivariate analysis, and in silico… 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
- 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 ... Laboratory. Within the team we have extensive experience with large scale molecular dynamics simulations, first principles calculations, reactive empirical force… more
- 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
- 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
- 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
- Merck (Rahway, NJ)
- …ophthalmic routes of administration + Develop multiscale models integrating coarse-grain molecular dynamics (CGMD), CFD-FEA Multiphysics to predict how process ... to building and applying Multiscale and Multiphysics modeling approaches-from molecular -level coarse-grained simulations to continuum-scale process modeling-to advance the… more
- University of Michigan (Ann Arbor, MI)
- …written communication skills. **Desired Qualifications 1. Experience with LAMMPS for molecular dynamics simulations. 2. Familiarity with thermal conductivity and ... will focus on the discovery and design of immersion cooling fluids using molecular simulation and machine learning methods. This position offers the opportunity to… more
- Takeda Pharmaceuticals (Boston, MA)
- …candidate selection + Extensive knowledge of computational chemistry tools, including docking, molecular dynamics , FEP, QSAR modeling, and generative AI + Strong ... and developing a world-class team, and providing scientific leadership in molecular design and cheminformatics. The person will also spearhead our transformation… 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
- 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 ... for the post-doctoral fellow are some combination of skills in molecular biology and cancer biology, small molecule screening and pharmacology, bioinformatics… 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
- 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
- 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 Florida (Gainesville, FL)
- …skills with strong track record (eg github, gitlab contributions) Experience in molecular dynamics simulations and/or AI applied to biomolecules Programming ... calculations in the new environment in our supercomputer cluster and application to molecular motors. This position will be initially awarded for one year, 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
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