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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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free energy, kinetic coefficients, and their anisotropies) in Al alloys. The work will heavily rely on molecular dynamics (MD) simulations using LAMMPS, scientific programming (developing automated scripts
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multidisciplinary scientific approach ranging from the molecular to the population level. Research is organized in five programs: Climate, Air Pollution, Nature and Urban Health; Environment and Health over
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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