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/TranSIESTA), or Molecular Dynamics (including hybrid QM/MM or ML-IP simulations) - Apply for computational resources in HPC facilities when needed. - Prepare periodic reports of the results and provide
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computational techniques, including finite element modeling, phase field modeling, ab initio calculations, and molecular dynamics simulations. Complementary experimental work such as microscopy and
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spectroscopy and molecular dynamics simulations: We develop and apply novel ultrafast spectroscopic methods aimed at uncovering how changes in light, environment and structure switch the function of photoactive
Searches related to molecular simulation
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