Colóquio de Física

• Responsável: PPG-FIS
• Câmpus: Santo André
• Local: Sala Virtual
• Data: 20/05/2020
• Horário: 14:00 às 16:00
• Descrição:

  Palestrante: Alexandre Reily Rocha (IFT-Unesp)
  Titulo: Simulating the next generation of DNA sequencers: the effects of getting graphene all wet

  Resumo: 
Solvated systems apear in a number of applications, from
  electrochemistry to biosensors. From a theoretical simulations point of
  view these are complex system from a number of aspects. In particular
  the design of all electronic biosensors requires that the device be
  imersed in – a typically aqueous – solution that involves a large
  configurational space. Furtheremore, biomolecules comprise large complex structures that are not always feasible with state of the art ab initio simulations. Finally, in an electronic biosensor, electrons must
  obviously be accounted for, hindering the use of fully classical
  molecular dynamics methods.

  In this talk I will address a methology that finds a balance. Known as
  QM/MM, we combine it with a non-equilibrium Green’s function formalism to simulate electronic transport in graphene, graphene nanopores and nanogaps as possible platforms for DNA chips, and de novo sequencing. I will address the effects of the solvent on the electronic transport properties of such devices, and how the potential of water molecules, and particularly of charged counter ions completely alter the properties compared to simulations in the “gas phase”, and even open new channels for transport.

• Necessita inscrição: Não
• Link de divulgação: https://bit.ly/2YORSFE

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