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Field
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molecular dynamics simulations with LAMMPS, and data curation. Scientific context: Our current understanding of polymer viscoelasticity is founded on single-chain models [2]. Such models draw on the fact
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, and analysis. Specifically, the project will employ a multidisciplinary approach combining molecular dynamics, coarse-grained simulations, and continuum structural mechanics with structural and dynamic
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kinetic properties associated with a transformation, using artificial intelligence tools * performing molecular dynamics simulations * developing codes to analyze these simulations, using existing
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Innsbruck (J.Phys.Chem.A2021,125,7662−7669) in an existing machine. The successful candidate will be responsible for the theoretical design (SIMION simulations), mechanical design (SOLIDWORKS), and final
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is modelling and optimization using molecular dynamics and machine learning. The position is part of a team looking at these fascinating systems from their fundamental properties and making them in
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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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cardiovascular diseases. Currently, we are studying mitochondrial calcium signaling and how it is altered in heart, liver, and kidney failure. Our research employs techniques in molecular and cellular biology
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research programs foster a collaborative environment where groundbreaking discoveries are translated into real-world solutions. We are looking to hire a Research Assistant to join our dynamic team and
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initio quantum chemistry to understand and predict structure and reactivity in the ground and electronic excited states. Further, we use and develop classical and quantum dynamical methods to explain
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preferred, but not required) are desired. Experiences with catalysis (biological, homogeneous, or heterogeneous), excited-state simulation methods, multiscale simulations (broadly defined), molecular dynamics