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inviting applications for a PhD Student (f/m/x) in the field of Theory and Methods for Non-equilibrium Theory and Atomistic Simulations of Complex Biomolecules Possible projects are variational free energy
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analysis methods. You will gain expertise in integrating experimental total scattering and high-resolution imaging data with artificial intelligence and atomistic simulation tools to overcome current
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, or related fields Good English language – spoken and written Nice-to-have: Experience with molecular dynamics simulations (with GROMACS, CHARMM, NAMD, AMBER, LAMMPS, etc.) at the atomistic or coarse-grained
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(with GROMACS, OPENMM, LAMMPS, NAMD, AMBER, etc.) at the atomistic or coarse-grained level would are advantageous. Good communication and interpersonal skills Motivation and a collaborative mindset What
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High
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for the new green steels compositions, including impurities and tramp elements. These models should enable density-functional-theory (DFT) accurate large scale atomistic simulations of defects including
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.) at the atomistic or coarse-grained level Good communication and interpersonal skills Motivation and a collaborative mindset What we provide to you: Open access to CEITEC MU core facilities with state-of-the-art
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into hydrogen and nitrogen under practical onboard conditions. Successful candidate will develop and apply computational methods, such as density functional theory based atomistic modelling and machine learning
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into hydrogen and nitrogen under practical onboard conditions. Successful candidate will develop and apply computational methods, such as density functional theory based atomistic modelling and machine learning
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they cannot intercalate into commonly used anode materials like graphite. This project aims to investigate the atomic level sodium storage mechanism in hard carbon via combined experiment and atomistic