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

 

Alex Mazanek

  • Reactive models for oxygen atom adsorption on platinum surfaces

amazanek@nd.edu

Undergraduate Students


Nicholas Milikich

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

nmilikic@nd.edu

Previous Members


Postdoctoral Researchers

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