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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | 3 months ago
, measurements of fast enzymatic kinetics, Mossbauer spectroscopy and computational methods (molecular dynamics simulations, QM/MM studies on reaction mechanisms, calculations of Mossbauer spectral properties
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tasks include: Computational Modeling of Glassy Materials: Performing large-scale molecular dynamics (MD) and Monte Carlo (MC) simulations to study the structural, mechanical, and dynamical properties
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is close. Our cohesive campuses make it easy to meet, work together and exchange knowledge, which promotes a dynamic and open culture. The ongoing societal transformation and large green investments in
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quantum chemical and/or molecular dynamics simulation. Demonstrated experience in inorganic and/or air sensitive synthesis. Department Unit/Website: www.ameslab.gov Proposed Start Date: June 2, 2025
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molecular dynamics and theoretical chemistry. Named after Fritz Haber, a Jewish-German chemist who received the Nobel Prize in Chemistry, it has been instrumental in advancing theoretical research in
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preferred, but not required) are desired. Experiences with catalysis (biological, homogeneous, or heterogeneous), excited-state simulation methods, multiscale simulations (broadly defined), molecular dynamics
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 2 days ago
to work on accelerated molecular simulations and AI-driven drug discovery. Research projects in the Miao Lab include development of novel theoretical and computational methods and AI techniques