Displacement damage 
        in c-Si from a 100 eV recoil.  Beck Research Group:  Advancing technology through quantum 
        mechanical calculations in Materials Science.  Principal Investigator:  Matthew J. Beck


The Computational Materials Science research group at the University of Kentucky is led by Prof. Matthew J. Beck and is part of the Chemical & Materials Engineering department.

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Quantum mechanics / applied to materials / related problems.

Group News

Chemistry of Materials Xing Huang's paper published: This latest paper from the Beck Group reports experimental synthesis and characterization of ceria nanoparticles computationally designed by the Beck Group. The paper validates our previous predictions that below a critical size, CNPs are intrinsically covered with high densities of adsorbed molecular oxygen species. The paper is Xing's second to be published in Chemistry of Materials in the last six months.

Welcome Evan Hyde: The Beck group is thrilled to welcome Evan Hyde as a new graduate student. Evan has a BS in Materials Science and Engineering from Purdue University, and will conduct research on the interaction of organic ligands with the surfaces of nanoporous metal oxide membranes. Evan's work will be part of the NSF EPSCoR Membranes thrust.

Random network solid New "random network" model builder: Undergraduate researchers D. J. Richardson and Mary Martin have completed the initial version of a software tool for creating random network structures, akin to the ligament--node nature of np-film groth. The group is now able to directly compute mechanical properties of nanoporous, "random network" materials like those known to be realizable via dealloying.

Archived News Items

Research Interests

Computatational Materials Science Research Interests I am interested in technologically relevant questions focused on the structure or properties of materials systems at small length scales, including problems in energy generation and storage, nanoscale or molecular electronics, and self-assembling systems. I am motivated to impact existing technology by applying and developing first-principles calculation techniques in order to address fundamental materials questions. Of particular interest to me are quantum mechanical calculations of atomic-scale dynamics, especially calculations employing time-dependent density functional theory (TDDFT), an emerging method allowing ab initio calculation of electron dynamics.

For details about current projects, please see the Research page, and for information on open research positions, see the Positions page.

Above: Damage in c-Si from a 100 eV recoil. Read about Displacement Damage on the Research page.

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