Principal Investigator
Principal Investigator
gezelter@nd.edu
Graduate Students
- Polarizable potentials for noble metals
- Multiple-minimum fluctuating charge models
- Simulations of ionic conductivity in liquids
- Developement of new reverse non-equilibrium molecular dynamics (RNEMD) methods

Anderson Duraes
- Shear separation of enantiomers
- Reverse non-equilibrium molecular dynamics (RNEMD)
- Simulations of thermal transport from polarizable metal nanoparticles
Undergraduate Students


Jasmine Sindelar
- Molecular dynamics simulations of transition metal / ligand complexes
High School Students

Andrew Kaboski
- Non-Equilibrium Molecular Dynamics (NEMD) simulations of ionic conductivity
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
Nicholas Milikich
Jennifer Morton
Thomas Parsons
Christie Puglis
Megan Sprague
Jenna Stevens