Recent Group Alumni/æ
 
Dan Combest Dan Combest
B.S. Chemistry at Berea College (2002)
B.S. Chemical Engineering at Washington University in St. Louis (2004)
Participant in Notre Dame's REU program (2002)
Participant in an REU program with Dr. Gero Decher in Strasbourg (2003)
  • Statistical Mechanics of Quantum Cellular Automata
Pat Conforti Pat Conforti
B.S. (Chemistry) from the University of Notre Dame (2003)
Currently a graduate student in Chemistry at the Pennsylvania State University
  • Dynamics of alloying and de-alloying in bimetallic nanoparticles
Kyle Daily Kyle Daily
B.S. (Chemistry & Physics) from Northwest Missouri State University (2003)
M.S. (Chemistry) from the University of Notre Dame (2005)
  • Molecular-Scale Contact Potentials
Peter DeCarlo Peter DeCarlo
B.S. (Biochemistry) University of Notre Dame (2001)
Currently a graduate student in the Program in Atmospheric and Oceanic Science at the University of Colorado
  • Percolation Theory
  • Interdiffusion of isotopic mixtures
Chris Fennell Chris Fennell
B.S. in Chemistry (with minors in Mathematics and Art) from Drake University (2001)
Ph.D. in Chemistry from the University of Notre Dame (2006)
Currently a Post-doctoral Research Scientist in Ken Dill's lab at UCSF
  • Single-point models for water
  • Novel polymorphs of ice
  • Propagators for Orientational degrees of freedom in molecular dynamics
  • Methods for pairwise electrostatics
Patrick Holvey Patrick Holvey
B.S. in Chemistry from the University of Notre Dame (2010)
Currently in the PhD program in Materials Science and Engineering at The Johns Hopkins University
  • Computational models for metal-water interactions
Chunlei Li Chunlei Li
B.S., Life Sciences, Peking University (2007)
M.S. in Biochemistry from the University of Notre Dame (2010)
Currently in the PhD program in Applied and Computational Mathematics and Statistics at Notre Dame.
  • Developing collective coordinate molecular orientational restraints
  • Computer modeling of the binding of type V insect anti-freeze proteins (AFPs) to ice surfaces
Teng Lin Teng Lin
B.S. USTC (2001)
Ph.D. in Chemistry from the University of Notre Dame (2006)
Currently a Scientific Programmer at Schrodinger, Inc.
  • Reduced models for lipid-water interactions
  • Methods for performing Langevin dynamics on rigid molecular substructures
  • Development of OOPSE molecular dynamics simulation engine
Matthew Meineke Matt Meineke
B.S. (Chemistry and Physics) Western Kentucky University (1999)
Ph.D. (Chemistry) University of Notre Dame (2004)
Currently a Medical Physicist at Memorial Hospital in South Bend, IN
  • Coarse-Grained Models for Biological Membranes
  • Random Sequential Adsorption Models for Self-assembled Monolayers
  • Development of BASS molecular dynamics simulation language
  • Development of OOPSE molecular dynamics simulation engine
Christie Puglis Christie Puglis
B.S. (Biochemistry) Unviersity of Notre Dame (2008)
Currently at the Southern College of Optometry in Memphis, TN
  • Computer modeling of the binding of type V insect anti-freeze proteins (AFPs) to ice surfaces
  • Dynamics of threonine-bound structural water molecules in type V insect AFP solution structures.
Jayashree Saha Dr. Jayashree Saha
Ph.D. (Physics) University of Calcutta (1996)
Post-doctoral research scientist at Notre Dame (1999-2001)
Currently a Lecturer in Physics at Visva-Bharati, Santiniketan, West Bengal, India
  • Molecular-Scale Models for Biological Membranes
  • Phase transitions in model dipolar liquid crystals
Megan Sprague Megan Sprague
B.S. (Mathematics) from the University of Notre Dame (2003)
Currently a graduate student in Chemistry at the University of Wisconsin, Madison
  • Elastic properties of bi-metallic nanoparticles
  • Using Delaunay Triangulation and Voronoi Polyhedra to study vacancy migration in molecular dynamics simulations
Jenna Stevens Jenna Stevens
B.S. (Chemistry) from the University of Notre Dame (2007)
  • Ion transport in supercritical water
  • Simulations of vibrational relaxation in solution
Xiuquan Sun Xiuquan Sun
B.S. (Physical Chemistry) Jilin University (1999)
M.S. (Physical Chemistry) Jilin University (2002)
Ph.D. (Chemistry) University of Notre Dame (2008)
Currently a post-doctoral research scientist in the Dang group at Pacific Northwest National Laboratory.
  • Dipolar lattice models for ripple phase formation in lipids
  • Molecular-scale models for lipid phase transitions
  • Langevin dynamics methods for rigid molecular substructures
Charles F. Vardeman II Charles F. Vardeman II
B.S. (Chemistry) University of Notre Dame (2000)
Ph.D. (Chemistry) University of Notre Dame (2008)
Currently a staff member at the Center for Research Computing at the University of Notre Dame.
  • Laser-induced glass formation in bimetallic nanoparticles
  • Dynamics of alloying and de-alloying in bimetallic nanoparticles
  • Anomalous transport in metallic glasses
  • Parallel Molecular Dynamics methods development
  • Vacancy Migration
  • Development of OpenMD
Changsen Xu Changsen Xu
B.S. (Chemical Physics) USTC (1995)
M.S. (Chemistry) University of Notre Dame (2001)
  • Random Matrix Theory
  • Vibrational spectra of liquids, supercooled liquids and glassy materials
Yang Zheng Yang Zheng
B.S. (Chemistry) North East Normal University (1997)
M.S. (Computer Science) Kansas State University (2003)
M.S. (Chemistry) University of Notre Dame (2005)
  • Size-dependent Cutoff Methods for Molecular Dynamics