Principal Investigator
Principal Investigator
gezelter@nd.edu
Graduate Students
- Structure and Dynamics of water around the anti-freeze protein DAFP1
- Binding energetics of DAFP1 to ice facets
- Simulations of ionic conductivity in liquids
- Developement of new reverse non-equilibrium molecular dynamics (RNEMD) methods

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

Chelsea Popoola
- Calculations of molecular pitch for vortex separation of enantiomers
- Class 2 force field development

Jasmine Sindelar
- Water structure and dynamics around small molecule cryoprotectants
- 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
Fabely Moreno
Jennifer Morton
Thomas Parsons
Christie Puglis
Megan Sprague
Jenna Stevens