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: Proficiency in machine learning, statistical modeling, and quantitative methods for multi-omics data analysis Molecular Simulations: Expertise with molecular simulation tools like OpenMM, AMBER, Gromacs, and
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modeling of x-ray spectroscopies sensitive to molecular chirality; simulations of x-ray–induced ultrafast electron-transfer, decay, and nuclear dynamics in gas- and liquid-phase systems; and the development
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analysis Interdisciplinary Collaboration - Experience working in cross functional teams including molecular biologists, chemists, radiation experts and computational biologists Core Values - Ability to model
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information Ability to model Argonne’s Core Values: Impact, Safety, Respect, Integrity, and Teamwork Desired skills, knowledge and abilities: Experience with large-scale molecular dynamics (MD) simulations
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modeling and techno-economic assessment as appropriate. The candidate will work independently under general guidance, collaborate effectively within a multidisciplinary team environment, and prepare
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. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations
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contribute to the Lab’s broader effort in conversion and separation of carbon-based materials. The role will require the individual to work with personnel that perform machine learning and molecular
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incorporating the molecular systems for strong light–matter coupling. The successful candidate will: Develop thin-film deposition and cavity fabrication processes, including spin coating, polymer matrix blending
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://arxiv.org/abs/2509.00098 ) This project sits at the intersection of artificial intelligence and materials characterization and modeling. The goal is to create an AI system that can intelligently operate
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/ML model development to design and discover redox-active materials with tunable properties (structure, charge state, etc.) Discovery of novel materials for energy storage and conversion and their