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-chemical-physics/ ) led by Prof. Alexandre Tkachenko at the Department of Physics and Material Science, we are looking for a PhD candidate to perform molecular dynamics simulations of different genetic
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, there is no consensus on the adsorption mechanisms of these molecules on the metallic surfaces. In this PhD project we will use state-of-art molecular simulation methods [2,3] to clarify the adsorption and
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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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proteins in lipid droplets; (2) development and maintenance of the POP_MD code for non-equilibrium molecular dynamics simulations of biological systems. The successful candidate will be responsible
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engineering. Such changes can often be informed through mechanistic understanding of the destabilising processes. About the role This industry-sponsored project will explore molecular dynamics simulations
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properties of phase transitions involving magnetism, elasticity, dielectricity, etc. by applying and developing computational methods such as classical and quantum Monte Carlo simulations, molecular dynamics
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, and analysis. Specifically, the project will employ a multidisciplinary approach combining molecular dynamics, coarse-grained simulations, and continuum structural mechanics with structural and dynamic
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The researcher will study the potential of atto-photochemistry on organic or inorganic photoinduced reactions. He or she will use quantum chemistry and molecular dynamics methods to do so. The overall objective is
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and development activities in the fields of atomistic simulations, including density functional theory, machine learning, and molecular dynamics. The work involves theoretical and experimental research
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on understanding the role of protein dynamics in this process. Main responsibilities You will work together with structural biologists and computational chemists, primarily carrying out molecular simulations