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 2600+ citations, H-index=22
Amirhessam Tahmassebi (Graduate Student)
Liudmyla Barabanova (Graduate
Beattie (Graduate Student)
Adhesion and Friction of Bio-mimetic materials and biomaterial-material interfaces:
There has been a great deal of interest in understanding, design and fabrication of bio-mimetic and bio-inspired adhesives in recent years. We perform theoretical investigations on adhesion, friction behaviors and characteristics of fibrillar arrays for bio-mimetic dry adhesives. An article was published in Nanotechnology in 2014. Currently, we investigate collective behavior of fibrils in bio-mimetic arrays and extending our investigations to biomaterial-material interfaces.
A. Buldum, “Adhesion and friction characteristics of carbon nanotube arrays”, Nanotechnology 25, 345704 (2014).
Mechanical and Electronic Properties of Graphene Nanocomposites:
High-performance graphene based
nanocomposites consisting graphene and small molecules,
polymers, inorganic nanowires or nanoparticles are new,
novel materials with various potential applications. We
aim at investigating their morphology, mechanical and
electronic properties and computational investigations are
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.
A. Buldum and G. Tetiker, J. Applied Physics, 113, 154312 (2013)
Advanced Materials for Energy Conversion:
structures in organic electronics is a
rapidly developing field, however, it
requires understanding atomic structure,
electronic structure and property
relationships. Recently, we perform
investigations on p-conjugated
molecules and their supramolecular
structures. Computational design of novel
molecular nanowires consisting porphyrin-C60 dyads
for organic solar cells is carried out.
A. Buldum and D. H. Reneker, “Fullerene-Porphyrin Supramolecular Nanocables”, Nanotechnology 25, 235201 (2014).
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