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the last 5 years. Demonstrated experts in atomistic materials modeling for organic, inorganic, and/or hybrid compounds. Demonstrated experience with open-source classical molecular dynamics software LAMMPS
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are solicited for an individual to be appointed as a Postdoctoral Associate under the supervision of Dr. Tamar Schlick’s group. The research will focus on biomolecular dynamics simulations, involving protein and
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into hydrocarbons. You have proven expertise in modeling reaction and diffusion processes in nanoporous materials. You have proven expertise in ab initio molecular dynamics simulations of chemical reactions in
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must have a Ph.D. in Chemistry, Physics, or related field, with extensive experience in the application of molecular dynamics simulations to molecular systems, ideally in both methods and applications
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related field are particularly encouraged to apply.We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular
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Are you interested in developing AI methods that can make physics simulations orders of magnitude faster? If the answer is yes, please continue reading! Join our team! The University of Amsterdam (UvA) is
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molecular dynamics, docking (e.g., IFD), metadynamics, and free energy perturbation (FEP) techniques. Construct and contribute to the development of software tools for simulation and analysis. Integrate and
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datasets for the ML tool, which will be based on a Tensorial Neural Network architecture, will be provided by Molecular Dynamics simulations also conducted in E-COOL. Person Specification The successful
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., Science 380, 1048 (2023), Quantum simulator to emulate lower-dimensional molecular structure.
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developing LLM-based applications using Python APIs. Experience with large scale molecular dynamics (MD) packages e.g. lammps Experience with version control (e.g., Git) and collaborative software development