Formal Education

  1. MS in Chemistry, 1988, University of Warsaw, Warsaw, Poland
    Title of the Thesis:
    "Determination of the Interaction Energy for Magnesium Dimer Near the van der Waals Minimum, Including Correlation Energy, with Application of the Pseudopotential Method"

  2. PhD in Chemistry, 1997, University of Utah, Salt Lake City, Utah
    Title of the Dissertation:
    "Statistical Mechanics of Inhomogenous Mixtures"


Positions Held

research assistant Polarography Group,
Department of Chemistry
University of Warsaw
Warsaw, Poland 		1989-1990
teaching assistant Department of Chemistry,
University of Utah,
Salt Lake City, Utah 		1990-1994
research assistant Department of Chemistry,
Hong Kong University,
Hong Kong 		1995
computer consultant Utah Supercomputing Institute,
University of Utah,
Salt lake City, Utah 		1995-1996
research assistant Department of Chemistry,
Brigham Young University,
Provo, Utah 		1997
postdoctoral researcher Department of Chemistry,
University of Maine,
Orono, Maine 		1998-...
visiting scientist Queen's University of Belfast,
UK 		2000


Grants and Awards



Skills and Training


- extensive programming experience (FORTRAN,C); in particular includes writing complete codes for MC/MD computer simulation
- experience with QM/MD scientific packages (PSHONDO, Gaussian'94, DLPOLY, Amber, Moscito, CPMD), as well as with visualization programs (VMD, Rasmol, etc..)
- 1 year experience as research assistant in the Polarography Group of the Department of Chemistry, at the University of Warsaw (including writing a program to simulate voltamperometrical process based on the finite difference method)
- completed course on Message Passing Interface (MPI), applied in practice by converting from serial to parallel a program based on Percus-Yevick theory (PY2), University of Utah, 1995
- completed GRC Summer School on Chemical Physics, Rhode Island, June 2000
- completed Summer School on Clusters, Birmingham, August 2000
- completed Car-Parrinello Tutorial, Lyon, September 2000
- 4 years teaching experience in the Chemistry Department at the University of Utah
- familiarity with UNIX environment - includes shell programming, Perl, TeX
- maintenance of computational resources - system administration, operating systems upgrades, installation of hardware and software


Affiliation



Summary of past research, and projects currently in progress

The subject of my PhD studies, under the guidance of professor Douglas Henderson, involved extensive Monte Carlo simulations of the binary hard sphere systems between the hard walls, and the comparison of the results with the existing theories for a dense fluid.[2] I found that the better known integral equation theories (Percus-Yevick and hypernetted chain) were not very satisfactory. On the other hand, the results of density functional theory and second order Percus-Yevick theory for the same systems were in good agreement with the computer simulation.
The other two projects I had been involved with, are the application of density functional theory to study the temperature and density dependence of the Lennard-Jones fluid in the pores[3], and calculations based on the second order Percus-Yevick theory. The program, which I converted to enable parallel execution under the MPI protocol, has been tested at the Maui supercomputer center.
I have experience with quantum mechanics and the van der Waals clusters. The project that led to my masters degree involved determination of potential energy curves for the dimer and other small clusters of magnesium.
My experience with existing chemistry packages includes Gaussian'94, and PSHONDO. The latter was applied in my undergraduate research. Our group of prof. Jay Rasaiah is using AMBER in the studies of water in contact with solid confinements (walls, channels), and DLPOLY in the research related to self-assembled tethered-chain membranes. Recently we began experimenting with MOSCITO, another package allowing combined QM/MD approach, as well as with the Car-Parrinello Molecular Dynamics package (CPMD).