- 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
- Lilly (South San Francisco, CA)
- …for high-throughput computational biology workloads including genome-wide association studies and molecular dynamics simulations. + Apply CI/CD, test automation, ... leverages **agentic AI and LLMs to accelerate drug discovery** -from molecular hypothesis generation to experimental design optimization. This platform is designed… 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
- 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
- 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
- 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
- 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)
- …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