- Code development
for plasma modeling via DSMC + PIC methods.
- Simulation of
rarefied gas chemistry in the hypersonic regime.
- MD simulation of
system generated EMP materials effects.
- Faster MD simulation
on novel hardware architechtures.
- Development and
support of the LAMMPS MD software package.
Sachs, J.N., Crozier, P.S., Woolf, T.B., “Atomistic
simulations of biologically realistic transmembrane potential gradients,”
J. Chem. Phys., 121,
Jang, H., Crozier, P.S., Stevens, M.J., Woolf, T.B.,
supports a state: Molecular dynamics simulations of two states in
bacteriorhodopsin suggest lipid and water compensation,”
Biophys. J., 87, 129-145, (2004).
Crozier, P.S., Stevens, M.J., Woolf, T.B., “Molecular dynamcis simulation of
rhodopsin photoisomerization,” Biophys. J., 86, 16A-16A,
Crozier, P.S., Stevens, M.J., Forrest, L.R., and
Woolf, T.B., "
Molecular dynamics simulation of dark-adapted rhodopsin in an explicit
membrane bilayer: coupling between local retinal and larger scale
conformational changes," J. Mol. Biol., 333,
Crozier, P.S., Stevens, M.J., "Simulations
of single grafted polyelectrolyte chains: ssDNA and dsDNA," J.
Chem. Phys., 118, 3855-3860, (2003).
Crozier, P.S., Rowley R.L., “Activity
coefficient prediction by osmotic molecular dynamics,” Fluid
Phase Equilib., 193, 53-73, (2002).
Crozier, P.S., Stevens, M.J., “Simulations of DNA,” Biophys. J., 82,
Woolf, T.B., Forrest, L.R., Crozier, P.S., and Stevens, M.,
“Molecular dynamics simulation of rhodopsin in a DOPC bilayer:
Effect of the lipid environment,” Biophys. J., 82,
Crozier, P.S., Henderson,
D., Rowley, R.L., and Busath, D.D., “Model channel
ion currents in NaCl-extended simple point charge water solution with
applied-field molecular dynamics,” Biophys. J., 81,
Crozier, P.S., Rowley, R.L., Holladay,
N.B., Henderson, D., and Busath, D.D., “Molecular
dynamics simulation of continuous current flow through a model biological
membrane channel,” Phys. Rev. Lett., 86,
Crozier, P.S., Rowley, R.L., and Henderson, D., “Molecular-dynamics
simulations of ion size effects on the fluid structure of aqueous
electrolyte systems between charged model electrodes,” J.
Chem. Phys., 114, 7513-7517, (2001).
Busath, D.D., Boda, D., Crozier, P.S., Rowley, R.L., Holladay, N.B., Henderson, D.,
of selectivity and current flow in model channels,” Biophys.
J., 80, 114A-114A, (2001).
Crozier, P.S., Rowley, R.L., and Henderson,
dynamics calculations of the electrochemical properties of electrolyte
systems between charged electrodes,” J. Chem. Phys., 113,
Crozier, P.S., Rowley, R.L., Henderson,
D., and Boda, D., “A
corrected 3D Ewald calculation of the low effective temperature
properties of the electrochemical interface,” Chem. Phys.
Lett., 325, 675-677, (2000).
Crozier, P.S., Rowley, R.L., Spohr, E., and Henderson, D., “Comparison
of charged sheets and corrected 3D Ewald calculations of long-range forces
in slab geometry electrolyte systems with solvent molecules,” J.
Chem. Phys., 112, 9253-9257, (2000).
Ph.D. Chemical Engineering,
Brigham Young University,
1997-2001. 3.98 GPA. Dissertation title: "Slab-geometry
molecular dynamics simulations: development and application to
calculation of activity coefficients, interfacial electrochemistry, and
ion channel transport”
B.S. Chemical Engineering, Brigham Young University,
1992-1997. Cum Laude, 3.87 GPA.
Senior Member of Technical Staff, 2004-present. Multiscale
Computational Materials Methods, Sandia
National Laboratories. Ongoing plasma and molecular simulation
research efforts in computational materials science and molecular
biology. Also involved in computational plasma simulation code
development and molecular simulation methods development. Use and
collaborate in development of the LAMMPS
molecular dynamics code and the pizza.py suite of
pre- and post-processing tools for MD.
Limited Term Technical Staff, 2001-2004. Computational
Materials and Molecular Biology Department, Sandia National Laboratories.
Worked in computational molecular biology with molecular dynamics
simulation of globular proteins (i.e. RuBisCO) and membrane proteins
(i.e. rhodopsin). Developed molecular simulation methods.
Used and collaborated in the development of the LAMMPS molecular dynamics code and
other software tools of interest in computational biology.
Research Assistant, Dr.
Douglas Henderson, 1999-2001. Developed molecular dynamics computer
programs for the exploration of surface structure and phenomena in
electrolytic systems near interfaces. Also developed molecular
dynamics code to explore ion transport through channels in biological
Research Assistant, Dr.
Richard L. Rowley, 1997-2001. Developed osmotic molecular dynamics
method of activity coefficient determination for realistic structured
Teaching Assistant, Department
of Chemical Engineering, Brigham
Young University, 1997-1998. Heat and Mass Transfer, Separations, and
Polymers. Taught classes, built web-pages, helped students, graded exams.
Research Assistant, IBC Advanced
Technologies, 1992-1993. Ran experiments on the holding capacity of
super-ligands and used spectroscopy instruments to determine the
concentration of metals in samples obtained from the experiments.
Computational plasma physics
- Plasma simulation
- Arc modeling
- Direct Simulation
Monte Carlo (DSMC) methodology
- Particle-in-Cell (PIC) methodology
folding, self-assembling biomolecules
- Vapor-liquid and
liquid-liquid phase equilibrium
Molecular dynamics methodology
multibody molecular dynamics (SMMD) code development
- Molecular dynamics
methods and algorithm improvement
- Force field
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