Elif Ertekin

2021

Ben L. Levy-Wendt, Brenden R. Ortiz, L\'\idia C. Gomes, Kevin H. Stone, Donata Passarello, Elif Ertekin, Eric S. Toberer, and Michael F. Toney and (2021): Understanding Cu Incorporation in the $\Less$mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"$\greater$$\less$mml:mrow$\greater$$\less$mml:msub$\greater$$\less$mml:mi$\greater$Cu$\less$/mml:mi$\greater$$\less$mml:mrow$\greater$$\less$mml:mn$\greater$2$\less$/mml:mn$\greater$$\less$mml:mi$\greater$x$\less$/mml:mi$\greater$$\less$/mml:mrow$\greater$$\less$/mml:msub$\greater$$\less$mml:msub$\greater$$\less$mml:mi$\greater$Hg$\less$/mml:mi$\greater$$\less$mml:mrow$\greater$$\less$mml:mn$\greater$2$\less$/mml:mn$\greater$$\less$mml:mo$\greater$-$\less$/mml:mo$\greater$$\less$mml:mi$\greater$x$\less$/mml:mi$\greater$$\less$/mml:mrow$\greater$$\less$/mml:msub$\greater$$\less$mml:msub$\greater$$\less$mml:mi$\greater$GeTe$\less$/mml:mi$\greater$$\less$mml:mn$\greater$4$\less$/mml:mn$\greater$$\less$/mml:msub$\greater$$\less$/mml:mrow$\greater$$\less$/mml:math$\greater$ Structure Using Resonant X-Ray Diffraction, Physical Review Materials, American Physical Society (APS), Vol 5, Num 1

2019

Bin Ouyang, Tanmoy Chakraborty, Namhoon Kim, Nicola H. Perry, Tim Mueller, Narayana R. Aluru, and Elif Ertekin (2019): Cluster Expansion Framework for the Sr(Ti1-xFex)O3-x/2 (0 < x < 1) Mixed Ionic Electronic Conductor: Properties Based on Realistic Configurations, Chemistry of Materials, American Chemical Society, Vol 31, Num 9, pp3144-3153
Taishan Zhu and Elif Ertekin (2019): Mixed phononic and non-phononic transport in hybrid lead halide perovskites: glass-crystal duality, dynamical disorder, and anharmonicity, Energy and Environmental Science, The Royal Society of Chemistry, Vol 12, Num 1, pp216-229

2018

Taishan Zhu, Krishnan Swaminathan-Gopalan, Kelly Stephani, and Elif Ertekin (2018): Thermoelectric phonon-glass electron-crystal via ion beam patterning of silicon, Physical Review B, American Physical Society, Vol 97, Num 17, pp174201
Heonjae Jeong, Edmund G. Seebauer and Elif Ertekin (2018): First-principles description of oxygen self-diffusion in rutile TiO2: assessment of uncertainties due to enthalpy and entropy contributions, Physical Chemistry Chemical Physics, The Royal Society of Chemistry, Vol 20, Num 25, pp17448-17457

2017

Jaehyung Yu, Lucas K. Wagner, and Elif Ertekin (2017): Fixed-node diffusion Monte Carlo description of nitrogen defects in zinc oxide, Physical Review B, American Physical Society, Vol 95, Num 7, pp075209

2015

Jaehyung Yu, Lucas K. Wagner, and Elif Ertekin (2015): Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: case study of zinc selenide and zinc oxide, Journal of Chemical Physics, AIP Publishing, Vol 143, Num 22, pp224707
Joshua A. Schiller, Lucas K. Wagner, and Elif Ertekin (2015): Phase Stability and Properties of Manganese Oxide Polymorphs: Assessment and Insights from Diffusion Monte Carlo, Physical Review B, American Physical Society, Vol 92, Num 23, pp235209
Taishan Zhu and Elif Ertekin (2015): Resolving Anomalous Strain Effects on Two-Dimensional Phonon Flows: The Cases of Graphene, Boron Nitride, and Planar Superlattices, Physical Review B, American Physical Society, Vol 91, Num 20, pp205429

2014

Taishan Zhu and Elif Ertekin (2014): Phonon Transport on Two-Dimensional Graphene/boron Nitride Superlattices, Physical Review B, American Physical Society, Vol 90, Num 19, pp195209

2019

Elif Ertekin, Vladan Stevanovic, Eric Toberer, G. Jeffrey Snyder, Michael Toney (2019): Accelerating Thermoelectrics Materials Discovery via Dopability Predictions, 2019 Blue Waters Annual Report, pp146-147

2018

Lucas Wagner, Elif Ertekin, Gregory MacDougall (2018): Quantum Magnets and Models, 2018 Blue Waters Annual Report, pp176

2017

2016

2015

Elif Ertekin (2015): Simulating Thermal Transport in Nanostructures from The Ballistic to The Diffusive Regime, 2015 Blue Waters Annual Report, pp84-85

17 campus teams to accelerate their research with Blue Waters


Jun 10, 2015

Seventeen U of I research teams from a wide range of disciplines have been awarded computational and data resources on the sustained-petascale Blue Waters supercomputer at NCSA. “These diverse projects highlight the breadth of computational research at the University of Illinois,” said Athol Kemball, associate professor of Astronomy and chair of the Illinois allocation review committee. “Illinois has a tremendous pool of talented researchers in fields from political science to chemistry to engineering who can harness the power of Blue Waters to discover and innovate.”


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14 Illinois researchers selected for NCSA Fellowships


May 11, 2015

Fourteen faculty members at the University of Illinois at Urbana-Champaign have been selected to receive one-year fellowships that will enable their research teams to pursue collaborative projects with the National Center for Supercomputing Applications. NCSA's fellowship program aims to catalyze and develop long-term collaborations between the center and campus researchers, particularly in the center's six thematic areas of research: Bioinformatics and Health Sciences, Computing and Data Sciences, Culture and Society, Earth and Environment, Materials and Manufacturing, and Physics and Astronomy.


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U of I, Great Lakes Consortium award Blue Waters resources to 18 research teams


Apr 10, 2014

Eighteen research teams from a wide range of disciplines have been awarded computational and data resources on the sustained-petascale Blue Waters supercomputer at the National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign. Blue Waters is one of the world’s most powerful supercomputers, capable of performing quadrillions of calculations every second and working with quadrillions of bytes of data. Its massive scale and balanced architecture enable scientists and engineers to tackle research challenges that could not be addressed with other computing systems.


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