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

Patrick Louden

  • Friction at solid-liquid interfaces
  • Hydrophobicity of ice-water interfaces

plouden@nd.edu

Suzanne Neidhart

  • Simulations of heat transfer at nanoparticle-ligand-solvent interfaces
  • Reverse non-equilibrium molecular dynamics (RNEMD)

skucera@nd.edu

Alex Mazanek

  • Reactive models for oxygen atom adsorption on platinum surfaces

amazanek@nd.edu

Undergraduate Students


Soren  Holm

  • Shear-flow separation of racemic mixtures
  • Resistance tensor calculation using force-torque correlation functions

Soren.Holm.6@nd.edu

Nicholas Milikich

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

nmilikic@nd.edu

Previous Members


Postdoctoral Researchers

Graduate Students

Kyle Daily
Christopher Fennell
Shenyu Kuang
Madan Lamichhane
Chunlei Li
Teng Lin
James Marr
Matthew Meineke
Joseph Michalka
Kelsey Stocker
Xiuquan Sun
Charles F. Vardeman II
Changsen Xu
Yang Zheng

Undergraduate Students

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