Computational Materials Physics Group

Department of Physics, The University of Akron

Alper Buldum


Department of Physics (main dept.)

Department of Chemistry

Integrated Bioscience Program

The University of Akron

email: buldum at

Over 3000+  citations, H-index=23

Current CV

Group Members:

 Amirhessam Tahmassebi (Graduate Student)

Liudmyla Barabanova (Graduate Student)

Larry Markley (Graduate Student)

Stephen 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.

nanotubes  stslp


  1. 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 underway.

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:


    Hierarchical 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.



  1. 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