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at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion
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nm) and over long timescales (10-100ps). To meet these objectives this project aims to further develop our recently introduced non-adiabatic molecular dynamics simulation method, termed excitonic state
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numerical work. Skills in molecular dynamics simulation are welcome, and in English is required. Additional Information Work Location(s) Number of offers available1Company/InstituteINSA de Lyon, Laboratoire
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systems, biomolecular interfaces, and catalytic processes. The project will use molecular dynamics simulations to understand molecular mechanisms of metal-based antimicrobial systems and biomolecular
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Assistant professor position (non-tenured) in molecular dynamics simulations of plant hormone tra...
expertise in molecular dynamics simulations on membrane proteins. The position is advertised for 2 years of employment and with a start date in October 2026. Expected start date and duration of employment
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | about 3 hours ago
investigations focused on spin dynamics, · Perform numerical simulations to study: - ultrafast magnetization phenomena, - interactions with surface acoustic waves, - propagation of sound waves in the presence of a
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expertise in molecular dynamics simulations on membrane proteins. The position is advertised for 2 years of employment and with a start date in October 2026. Expected start date and duration of employment
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, Ultra-cold gases, quantum optics, and quantum information , ultracold quantum gases , Ultrafast Molecular Dynamics , Ultrafast Physical Chemistry , Ultrafast Science , Unconventional and topological
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on simulating nanoalloy structures to create a database for materials characterization. The main tasks include running molecular dynamics and Monte Carlo simulations to model nanoalloys under various
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and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics