Physical Chemistry
Faculty Research Interests
Prof. Mark Campbell
Chemical Education Research
My recent research interests lately have involved reliability
of multiple choice exams and different methods of
decreasing the effect of guessing on exam scores.
Another area of interest I have is the effect of question
order and answer order on exam scores. Over the past two
years the plebe chemistry course has used two different
versions of the common exams to ensure exam integrity.
The two different versions used a different order for both
the questions and responses. It was assumed that the
different versions would have a negligible difference in
average score and individual question scores. I would like
to analyze the exam data to determine whether there are
any statistical differences between the exam and question
averages. Results of this project will be compared to
previous literature on the subject.
Prof. Mark Elert
My research efforts involve molecular dynamics simulations
of shock waves and detonation.
Computer simulation of molecular motion in solid model
systems is used to investigate the onset of detonation. The goal
is to incorporate realistic bond-breaking and bond-forming
processes so that the simulation can successfully model chemical
effects in detonation, such as the role of impurities, voids,
molecular orientation, and exothermicity, on the speed and
stability of detonation wave propagation. A simulation of the
detonation of solid acetylene is shown below.
Recently I have been focusing on the role
of strain energy in shock waves. A
strained hydrocarbon system such as
cubane (above) can release large
amounts of energy on impact,
comparable to the energy release in a
conventional explosive. Conversely, an
endothermic isomerization reaction could
be used to absorb energy during shock
impact of armor material.
Prof. Robert F. Ferrante
- Spectroscopy We utilize spectroscopy (chiefly FT-IR) of samples at very
low temperatures (10K – 140K) to examine two types of
systems:
- Small stable molecules that form ices on the surfaces
of comets, outer solar system bodies, or interstellar dust
particles to help identify them and their irradiation
products in astronomical spectra.
- Very unstable molecules, like reaction intermediates, to
determine their structure, bonding and reactions
Current Projects:
1) Optical Properties of Hydrocarbon Ices:
(NASA/GSFC) - developing a spectroscopic database of
the “optical constants” of simple ices (e.g. C2H6, C2H4, etc)
and ice mixtures (CH4/N2, etc.) which exist in comets and
outer solar system objects. May also involve ice density
measurements by quartz crystal microbalance (at USNA).
This data is used by astronomers in modeling the
composition of these objects.
2) Raman Spectroscopy of Ices: (USNA)
testing the ability of a simple Raman spectrometer to
distinguish and identify thin ice coatings on mineral
samples. This will help probe the feasibility of proposed
application of Raman on a Mars lander.
3) Spectroscopy of Nitrenes and Nitrides: (USNA)
working on a unique way to make these extremely
unstable
intermediates,
and
to
study
them
spectroscopically.
CONTACT ME FOR MORE INFORMATION!
Prof. Judith A. Harrison
Overview:
We examine the atomic-scale origins of friction and
wear of hydrocarbon-based materials using computer
simulations (i.e., molecular dynamics) which utilize a
potential energy function developed at USNA. Also,
we use computer models to examine thermodynamic
and transport properties of alternative fuels over a
broad temperature and pressure range..
1998
1993
2008
Projects:
1) Simulating chemical reactions: Students learn
how to write molecular dynamics computer codes for
simulating the movement of atoms on computers.
Skills needed: Willingness to learn basic FORTRAN and
some UNIX.
2) Computing the properties of Alternative Fuels
This project will develop a computer model that is
capable of predicting the properties of alternative
fuels of any composition even near the critical point.
Compare results to experiments carried out in
Chemistry Department and literature data.
Collaborators: Prof. Luning Prak
Skills needed: Willingness to learn basic FORTRAN and
some UNIX.
3) Using molecular dynamics simulations to
examine adhesion, friction, and wear in diamond
and diamondlike carbon (DLC) and selfassembled monolayers). The effects of tip shape,
chemical composition, roughness, temperature,
and environment must all be considered.
Experimental Collaborators: Univ. of Pennsylvannia
Skills needed: Willingness to learn FORTRAN and UNIX.
Past students: L. Herman, J. Williams, P. Lombard, R. Willingham,
B. Lassen, B. Sweeney, M. Gustafson
Fuel tank
HRD
Biodiesel
seawater
60 sec
5 component fuel
Assoc Prof Roy McClean
Overview
Current students
Potential energy surfaces of transition metal (TM)
reactions
TM + NO → Products
Midn Paris Bess
Mn + NO → Products
Midn Alexis Gamarra
Fe + NO → Products
Objective
Possible Projects
Understand the reactions at the molecular level
Method
Computational chemistry / density functional theory
(quantum mechanical calculations)
Gaussian 09 suite of programs
PE
Cr + N-O
Cr - N - O
rxn coordinate
N - Cr - O
TM + NO → Products
TM + CO2 → Products
Prior Knowledge
SC345 - Thermodynamics &
Kinetics
SC346 - Quantum Chemistry &
Spectroscopy
Need to Learn
Gaussian 09
Some UNIX
Asst. Prof. Melonie Teichert
Chemistry Education
• DBER: Discipline-Based Education Research
– Expertise in discipline (chemistry)
– Rigorous study of teaching and learning
(cognitive science, educational psychology,
learning sciences)
• Research Emphasis: The Design and
Assessment of Effective Learning
Environments (lecture and lab)
• Projects
– Inquiry labs for Plebe Chemistry: current focus is
spectroscopy lab (Beer’s Law), collaboration with
Monroe CC; Current Student: 1/C Diana Jacinto
– Guided Discovery lecture activities: for plebe
chem or upper division courses (P-Chem?)
– In-depth analysis of context-dependence of
bond energy understanding (plebe chem, bio,
and biochem effects)
– Investigation of USNA faculty use of innovative
teaching practices: (Big DBER focus)
– Design your own project! (Study of IL learning?
Gender effects? NAPS? Let’s talk!)
Assistant Professor Elizabeth Yates eyates@usna.edu
Biophysical Chemistry
BIOPHYSICAL CHEMISTRY ELECTIVE – SPRING 2017
OVERVIEW: My research focus is aimed at studying amyloidogenic proteins
associated with neurodegenerative diseases (Alzheimer's disease, Parkinson's
disease, etc.). These diseases are related to the rearrangement of specific proteins
to non-native conformations. Such rearrangements promote aggregation and
deposition within tissues and/or cellular compartments. Understanding the role of
amyloidogenic protein interaction at surfaces may provide valuable insight into the
toxic mechanism between cellular surfaces and amyloids.
PROJECTS:
1. Utilize and develop a biosensing colorimetric assay to study amyloidogenic
proteins associated with disease and measure protein interaction with lipid
membranes. A biomimetic, vesicle-binding assay to investigate the interactions of
protein aggregates with lipid membranes. Vesicles have varied colorimetric
responses when exposed to proteins depending on the extent of the protein-lipid
interaction. Current Research Students: M. Dorsey, C. Villareal
2. Atomic force microscopy: Experimentation of amyloid proteins on surfaces
State of the art Atomic force microscope (AFM) training and MATLAB programming.
The aggregation of each protein in free solution and on various surfaces will be
studied and evaluated using an AFM.
3. Determine the effect of amyloidogenic protein aggregation and surface activity
on lipid monolayer behavior. Surface potential measurements and protein
insertion into a lipid monolayer will be measured using a Langmuir-Blodgett trough.
Surface chemistry is measured by compressing the monolayer. The potential
created across the interface when amyloidogenic proteins are added now provides
a measure of the surface interaction of the protein that is independent of surface
pressures.
If you are interested in biophysics, nanoscience, or medical applications of
chemistry, please see me for more information!
Protein interaction
No interaction
Protein insertion
AFM image of
β-amyloid