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Field
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thermal energy storage using a combination of molecular dynamics and process-scale simulations. By linking molecular-level understanding to engineering-scale performance, you will contribute
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RAP opportunity at National Institute of Standards and Technology NIST Models and Protocols for Accelerated Simulations of Molecular Interactions and Dynamics Location Information Technology
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, Density Functional Theory, Molecular Dynamics, Monte Carlo, machine learning, phase field simulations
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an established code (for example VASP, Quantum ESPRESSO). ● Research experience performing molecular dynamics simulations. ● Experience training, fine-tuning, or validating machine-learning interatomic
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of machine learning and advanced molecular dynamics techniques for molecular simulations and to study Nucleic acids structures and their interactions. For more information, please visit https://nyuad.nyu.edu
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. Position 1: Attosecond electron dynamics This position is part of the DOE-funded Early Career project "Rigorous quantum simulation tools for correlated attosecond electron dynamics in molecules." It will
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molecular dynamics simulations and cheminformatics, and in the application of those methods to address challenging biological and chemical questions. Project background The main Doctroal project will be in
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(including neural quantum states), stabilizer and near-Clifford simulation, Gaussian/free-fermion methods, open-system dynamics (Lindblad master equations). - Machine learning for physical systems: deep
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applied. In this respect, quantum chemical methods and molecular dynamics simulations will be utilized. The project is supposed to (1) yield an understanding of nonlinear IR spectra of hydrogenases and the
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deadline is 16th of November 2026. Departmental specific information The molecular epigenetics (Yuri Schwartz) lab, situated in the Department of Molecular Biology, Umeå University, is a dynamic and