- 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) ... 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 ... more
- University of Delaware (Newark, DE)
- …of Delaware is seeking a postdoctoral fellow. The Hadden Lab specializes in molecular dynamics simulations of viral proteins and their assemblies, particularly ... more
- Texas Tech University (Lubbock, TX)
- …Recognition, Multi-scale Simulations, and Statistical Sampling to advance research projects. Conduct molecular docking and molecular dynamics simulations of ... 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 ... 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 ... 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 ... 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 ... more
- VeriSIM Life (CA)
- …if they demonstrate exceptional skills and expertise. + Strong expertise in molecular dynamics (MD), quantum mechanics (QM), docking, homology modeling, and ... more
- Schrodinger (San Diego, CA)
- …25 years of experience developing software solutions for quantum mechanics, molecular dynamics , and machine learning-based chemical simulation and prediction. ... 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 ... more
- Western Digital (Fremont, CA)
- …in one or more of the following areas: materials modeling, atomic simulations, molecular dynamics , and density functional theory (DFT). The intern will work ... 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 ... more
- Takeda Pharmaceuticals (Boston, MA)
- …candidate selection + Extensive knowledge of computational chemistry tools, including docking, molecular dynamics , FEP, QSAR modeling, and generative AI + Strong ... 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 ... more
- Merck (Rahway, NJ)
- …or data management, or molecular modeling approaches such as docking, molecular dynamics , protein design, small molecule design, peptide design, quantum ... 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 ... 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 ... 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 ... more
- Schrodinger (San Diego, CA)
- …at the atomic scale + A student of materials or life science who has applied molecular dynamics and DFT methods in model validation + A critical thinker who's ... more
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