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articles (e.g. JCP 152, 2020, 210901). Candidates should have significant general experience in molecular dynamics/electronic structure and a PhD in computational/theoretical chemistry/physics. Please send
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with molecular simulation tools (GROMACS, CHARMM, etc) and/or multiscale and coarse-grained approaches, such as Normal Mode Analysis, Brownian Dynamics, etc. are a prerequisite. Extensive expertise in
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developing a protocol gathering an array of state of-the-art computational techniques: ab initio methods, molecular dynamics, enhanced sampling techniques (metadynamics, umbrella sampling) and machine learning
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project. - Development of NMR pulse-sequences - Development advanced NMR processing schemes - Programming and Simulation - NMR characterization of large protein complexes - Dynamics studies of large protein
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applying theory and simulation methods to investigate the ultrafast quantum dynamics in atoms, molecules and solids. We pursue an interdisciplinary research program that combines advanced theoretical
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is close. Our cohesive campuses make it easy to meet, work together and exchange knowledge, which promotes a dynamic and open culture. The ongoing societal transformation and large green investments in
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are rapidly developing. Here we build a practical research cycle which first takes promising quantum computing use-cases within the H2FUTURE theme, e.g. in molecular & atomistic modelling, photocatalysis