Team

Principal Investigator

Dan Gezelter

Principal Investigator
gezelter@nd.edu

Graduate Students

Cody Drisko

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

cdrisko@nd.edu

Anderson Duraes

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

adasilv3@nd.edu

 

Veronica Freund

  • Density Readjusting Embedded Atom Method (DR-EAM) for metal oxides and mixed metal / metal oxide surfaces

vfreund@nd.edu

 

Ben Harless

  • Structure and Dynamics of water around the anti-freeze protein DAFP1
  • Binding energetics of DAFP1 to ice facets

bharless@nd.edu

Sydney Shavalier

  • Simulations of thermal transport from polarizable metal nanoparticles

sshavali@nd.edu

 

Undergraduate Students

Previous Members