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chemistry such as molecular dynamics, density-functional theory and multi-scale modelling. You will work under the supervision of Dr Xiuwen Zhou and Dr Joshua Carroll in the School of Chemistry and Physics
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 27 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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processes over such an extended time range is a formidable task for conventional molecular dynamics. We have developed a mathematical technique for simulation of phonon transport in nanomaterials based
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Faculty of Health and Medical Sciences University of Copenhagen We are looking for two highly motivated and dynamic computational postdocs to join the group of Prof. Ana Cvejic from the 1st of June
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 25 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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technology. Development of cutting edge foundation models for protein design, small molecule property prediction, or protein function prediction Data generation and curation, including molecular simulation and
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The University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 1 month ago
biophysics/chemistry. Programming skills (e.g., bash scripting, python, Fortran, C++ and CUDA), expertise in computational modeling (such as Molecular Dynamics, virtual screening, free energy calculations and
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combines state-of-the-art computational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics, stochastic dynamics, Monte Carlo and analytical methods) and its thorough
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these insights with larger-scale soil and plant models. Perform molecular dynamics simulations to investigate interactions between soil organic matter (SOM), extracellular polymeric substances (EPS), water, and
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institutional shared resources devoted to translational science, in a collaborative project team environment. The applicant must have a strong background in computational chemistry, including molecular dynamics