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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | about 1 month 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 | 28 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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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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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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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
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, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
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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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Engineering, Computer Science, or a related field. Accompanying Knowledge, Skills, Abilities and Competencies Excellent abilities in molecular modeling and simulations (molecular dynamics or Monte Carlo
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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