Research Projects

A simple correction scheme for DFT functionals is being developed to predict the properties of a wide variety of molecules within chemical accuracy.
Group members involved in the project (in alphabetical order):

  •     Dilek Coskun
  •     Guangqi Li
  •     Benjamin Rudshteyn

We are developing and applying Quantum Monte Carlo methods for the accurate prediction of the properties of molecules, biological systems, and materials.
Group members involved in the project (in alphabetical order):

  •     Benjamin Rudshteyn
  •     Jack L. Weber

Prediction of protein loop structure

Group members involved in the project (in alphabetical order)

  • Benjamin Kepecs
  • Mengzhen Sun
  • Lichirui Zhang

We are developing and applying Free Energy Perturbation techniques in collaboration with Schrodinger to solve problems in drug design, antibodies, and other biological problems.

Group members involved in the project (in alphabetical order)

  • Dilek Coskun
  • Pierre Devlaminck
  • Jared Sampson
  • Lichirui Zhang