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identified around: theorists in quantum chemistry and molecular and reaction dynamics, organic synthesis chemists, physico-chemical experimenters (spectroscopy, photochemistry, molecular recognition and
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therapeutic strategies. - DNA-protéines complexes modeling - Molecular dynamics simulations of biomolecules - Enhanced sampling techniques (Steered MD, Gaussian Accelerated MD) - HPC resources use - Scientific
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 25 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 | 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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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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LSRI programme BioBeyond_NL. Bring your expertise in chemical biology, bioorganic chemistry, synthetic chemistry and passion for developing new molecular tools to study biomolecular interactions in a
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of configurations generated in silico as well as their thermodynamic, dynamic (phonon), and mechanical properties, and performing DFT/MLIP NpT and NVT molecular dynamics simulations. - Analyzing and exploiting