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Research focus

We are interested developing and formulating stochastic quantum chemistry methods.

  • Stochastic Density Functional Theory
  • Stochastic Time-Dependent Density Functional Theory
  • Stochastic GW Approximation
We apply out stochastic methods to calculate physical properties of large extended condense phase systems such as:
  • Band Gap Evolution in Bent Phosphorene Sheets
  • Optical Properties of Large Phosphorene Sheets
  • P-nitroaniline Embedded in Water