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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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interactions, supporting the design of next-generation antimicrobial materials. The role will involve performing molecular dynamics simulations and computational modelling to investigate interactions between
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differential equation models of bacterial persistence. A particular challenge, both for simulation and for machine learning, lies in the high dimensionality of these equations, which causes grid-based numerical
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and implant models Histology, advanced microscopy, and micro-computed tomography Spatial transcriptomics as well as molecular and bioinformatic analyses The candidate will work in a highly
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 3 days ago
) at the IT4Innovations, in the Material Design group of Dr. Dominik Legut within the Modeling of Nanotechnology Lab, is open to applicants for the SPIN DYNAMICAL CALCULATIONS of the topics of Czech Science Foundation’s
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 3 days ago
of spin–lattice models tailored to specific classes of magnetic materials, - validation of the developed models using representative systems through atomistic simulations and spin‑dynamics calculations
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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
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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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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 5 days ago
) at the IT4Innovations, in the Material Design group of Dr. Dominik Legut within the Modeling of Nanotechnology Lab, is open to applicants for the SPIN DYNAMICAL CALCULATIONS of the topics of Czech Science Foundation’s
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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