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eliminate early signs of cancer. To try to understand the origin of this increased efficiency in mAb–CD16 binding, we have undertaken molecular dynamics calculations. The mission of the recruited researcher
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properties of phase transitions involving magnetism, elasticity, dielectricity, etc. by applying and developing computational methods such as classical and quantum Monte Carlo simulations, molecular dynamics
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study their structures and dynamics using multi-scale simulations, which include all-atom molecular dynamics (MD) simulations, coarse-grained MD simulations, quantum mechanics/molecular mechanics (QM/MM
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Polymers using a combination of quantum and force field-based simulations that will be further integrated into a force field-based Molecular Dynamics (MD) approaches to assess the permeability and
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, or equivalent in physical sciences or a closely related discipline; 2. Preferred: Publications in atomic/molecular physics 3. Required: Experience in molecular quantum theory and computation
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independently while contributing creatively and collaboratively to a team environment. We Offer A dynamic, interdisciplinary research environment within the Lundby Group, dedicated to advancing molecular insights
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molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
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simulation methods, such as molecular dynamics, molecular docking, virtual screenig, and free energy calculations; c) Experience with molecular-based artificial intelligence methods; d) Programming skills. 4
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) points; b) Experience in molecular simulation methods, such as molecular dynamics, molecular docking, virtual screenig, and free energy calculations; c) Experience with molecular-based artificial
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SD- 26053 PHD IN ULTRA-FAST MACHINE-LEARNING INTERATOMIC POTENTIALS FOR NANOINDENTATION OF TIC MA...
dynamics (MD) simulations of different materials families composed of Ti and C. Titanium carbides, for example, exhibit exceptional hardness, high melting point, wear and abrasion resistance, and many other