Computational Materials Physics Group
Department of Physics, The University of Akron
Department of Physics (main dept.)
Department of Chemistry
Integrated Bioscience Program
The University of Akron
email: buldum at uakron.edu
Over 1600+ ISI citations, H-index=19
Other Group Members:
Tetiker (Graduate Student)
Lawrenzo Moses (Graduate Student)
Panapiyiya (Graduate Student)
Michael Avon (former graduate student)
Laxmi Subedi (former graduate student)
Advanced Materials for Energy Storage:
Recently, graphene and
graphene-based nanocomposites attracted great interest for
energy storage applications such as
rechargeable Li-ion batteries and supercapacitors. We perform first-principles density functional theory calculations
graphene based compounds for energy storage. Please see A. Buldum and G. Tetiker, J. Applied Physics, 113, 154312 (2013).
Advanced Materials for Energy Conversion:
Hierarchical structures in
organic electronics is a rapidly developing field, however, it
requires understanding atomic structure, electronic
Structure and Physical Properties of Graphene Nanocomposites:
High-performance graphene based nanocomposites
consisting graphene and small molecules, polymers, inorganic
Adhesion and Friction at the Nanoscale:
Our current investigations are on adhesion and
friction of bio-mimetic materials. We have performed large scale
Multiscale Modeling of Biosystems and Biomaterials:
We created a multiscale
modeling approach to study biofilms in the lungs and drug
delivery to these biofilms.
An NIH proposal was funded and new NIH proposal is pending. We wrote a Monte-Carlo simulation program which contains a model that
describes the nutrient and biomass as discrete particles. Diffusion of the nutrient, consumption of the nutrient by microbial particles, and growth and
decay of microbial particles are simulated using stochastic processes.
The results are presented at the annual APS March meeting and a manuscript is under preparation.
Another project we work on is electron flow in acid mine drainage induced sediments. In this project, a multiscale physical modeling of
electron transfer processes in a biogeochemical system is created to support and supplement experimental examinations.
It also includes modeling microbial fuel cells. We are collaborating with Prof. John Senko from department of geosciences.
An NSF proposal is funded.
Grant support from NSF, NSF-NIRT, NSF/NIH, Honda R&D,
Ohio Dept. of Development-Third Frontier
Courses: Physics 698: Introduction to Nanoscience