Team

Principal Investigator

Dan Gezelter

Principal Investigator
gezelter@nd.edu

Graduate Students

Hemanta Bhattarai

  • Polarizable potentials for noble metals
  • Multiple-minimum fluctuating charge models

hbhattar@nd.edu

Cody Drisko

  • Simulations of ionic conductivity in liquids
  • Developement of new reverse non-equilibrium molecular dynamics (RNEMD) methods

cdrisko@nd.edu

Anderson Duraes

  • Shear separation of enantiomers
  • Reverse non-equilibrium molecular dynamics (RNEMD)

adasilv3@nd.edu

 

Undergraduate Students

Nicholas Milikich

  • Hydrogen bond lifetimes around Dendroides canadensis anti-freeze (DAFP1) protein

nmilikic@nd.edu

High School Students

Andrew Kaboski

  • forward Non-Equilibrium Molecular Dynamics (NEMD) simulations of ionic conductivity

akaboski@nd.edu

Previous Members

Postdoctoral Researchers

Jayashree Saha

Undergraduate Students

Heather Chiarello
Dan Combest
Patrick Conforti
Peter DeCarlo
Kenneth Fletcher
Erik Helgesen
Soren Holm
Andrew Latham
Patrick Holvey
Patrick McIntyre
Jennifer Morton
Thomas Parsons
Christie Puglis
Megan Sprague
Jenna Stevens