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Andre Schleife

University of Illinois at Urbana-Champaign

Materials Research

2020

Xiao Zhang, Sebastian Achilles, Jan Winkelmann, Roland Haas, André Schleife, and Edoardo Di Napoli (2020): Solving the Bethe-Salpeter equation on massively parallel architectures, (submitted)
Alina Kononov and André Schleife (2020): Pre-equilibrium stopping and charge capture in proton-irradiated aluminum sheets, Physical Review B (submitted), American Physical Society
Ankita Bhutani, Xiao Zhang, Piush Behera, Rangarajan Thiruvengadam. Shannon E. Murray, André Schleife, and Daniel P. Shoemaker (2020): New Family of Anisotropic Zinc-Based Semiconductors in a Shallow Energy Landscape, Chemistry of Materials, American Chemical Society, Vol 32, Num 1, pp326-332
Chia-Hao Lee, Abid Khan, Di Luo, Tatiane P. Santos, Chuqiao Shi, Blanka E. Janicek, Sangmin Kang, Wenjuan Zhu, Nahil A. Sobh, André Schleife, Bryan K. Clark, and Pinshane Y. Huang (2020): Deep Learning Enabled Strain Mapping of Single-Atom Defects in Two-Dimensional Transition Metal Dichalcogenides with Sub-Picometer Precision, Nano Letters, American Chemical Society, Vol 20, Num 5, pp3369-3377
Steffen Richter, Oliver Herrfurth, Shirly Espinoza, Mateusz Rebarz, Miroslav Kloz, Joshua Leveillee, André Schleife, Stefan Zollner, Marius Grundmann, Jakob Andreasson and Rüdiger Schmidt-Grund (2020): Ultrafast dynamics of hot charge carriers in an oxide semiconductor probed by femtosecond spectroscopic ellipsometry, New Journal of Physics, IOP Publishing Ltd on behalf of Deutsche Physikalische Gesellschaft and the Institute of Physics, Vol 22, Num 8, pp083066
Kexin Yang, Kisung Kang, Zhu Diao, Manohar H. Karigerasi, Daniel P. Shoemaker, André Schleife, and David G. Cahill (2020): Magnetocrystalline anisotropy of the easy-plane metallic antiferromagnet Fe2 As, Physical Review B, American Physical Society, Vol 102, Num 6, pp064415

2019

Kisung Kang, Alina Kononov, Cheng-Wei Lee, Joshua A. Leveillee, Ethan P. Shapera, Xiao Zhang, and Andre Schleife (2019): Pushing the Frontiers of Modeling Excited Electronic States and Dynamics to Accelerate Materials Engineering and Design, Computational Materials Science, Elsevier BV, Vol 160, pp207-216
Joshua Leveillee, Claudine Katan, Jacky Even, Dibyajyoti Ghosh, Wanyi Nie, Aditya D. Mohite, Sergei Tretiak, André Schleife, and Amanda J. Neukirch (2019): Tuning Electronic Structure in Layered Hybrid Perovskites with Organic Spacer Substitution, Nano Letters, American Chemical Society, Vol 19, Num 12, pp8732-8740
Andrew J. Martinolich, Cheng-Wei Lee, I-Te Lu, Sarah C. Bevilacqua, Molleigh B. Preefer, Marco Bernardi, André Schleife, and Kimberly A. See (2019): Solid-State Divalent Ion Conduction in ZnPS3, Chemistry of Materials, American Chemical Society, Vol 32, Num 10, pp3652-3661
Bryce A. Thurston, Ethan P. Shapera, John D. Tovar, André Schleife, and Andrew L. Ferguson (2019): Revealing the Sequence-Structure–Electronic Property Relation of Self-Assembling π-Conjugated Oligopeptides by Molecular and Quantum Mechanical Modeling, Langmuir, American Chemical Society, Vol 35, Num 47, pp15221-15231
Kexin Yang, Kisung Kang, Zhu Diao, Arun Ramanathan, Manohar H. Karigerasi, Daniel P. Shoemaker, André Schleife, and David G. Cahill (2019): Magneto-optic response of the metallic antiferromagnet Fe2 As to ultrafast temperature excursions, Physical Review Materials, American Physical Society, Vol 3, Num 12, pp124408
Joshua Leveillee and André Schleife (2019): Free-electron effects on the optical absorption of the hybrid perovskite CH3 NH3 PbI3 from first principles, Physical Review B, American Physical Society, Vol 100, Num 3, pp035205

2018

Ethan P. Shapera and André Schleife (2018): Database-Driven Materials Selection for Semiconductor Heterojunction Design, Advanced Theory and Simulations, Wiley, pp1800075
Joshua Leveillee, Claudine Katan, Liujiang Zhou, Aditya D. Mohite, Jacky Even, Sergei Tretiak, André Schleife, and Amanda J. Neukirch (2018): Influence of π -conjugated cations and halogen substitution on the optoelectronic and excitonic properties of layered hybrid perovskites, Physical Review Materials, American Physical Society, Vol 2, Num 10, pp105406
André Schleife, Maciej D. Neumann, Norbert Esser, Zbigniew Galazka, Alexander Gottwald, Jakob Nixdorf, Rüdiger Goldhahn, and Martin Feneberg (2018): Optical properties of In2O3 from experiment and first-principles theory: influence of lattice screening, New Journal of Physics, IOP Publishing Ltd. on behalf of Deutsche Physikalische Gesellschaft, Vol 20, Num 5, pp053016
Xiao Zhang and André Schleife (2018): Nonequilibrium BN-ZnO: Optical Properties and Excitonic Effects from First Principles, Physical Review B, American Physical Society, Vol 97, Num 12, pp125201

2017

Sung Jun Lim, Andre Schleife, and Andrew M. Smith (2017): Optical Determination of Crystal Phase in Semiconductor Nanocrystals, Nature Communications, Springer Nature, Vol 8, pp14849
Ming-Fu Lin, Max A. Verkamp, Joshua Leveillee, Elizabeth S. Ryland, Kristin Benke, Kaili Zhang, Clemens Weninger, Xiaozhe Shen, Renkai Li, David Fritz, Uwe Bergmann, Xijie Wang, André Schleife, and Josh Vura-Weis (2017): Carrier-Specific Femtosecond XUV Transient Absorption of PbI2 Reveals Ultrafast Nonradiative Recombination, Journal of Physical Chemistry C, American Chemical Society, Vol 121, Num 50, pp27886-27893
André Schleife, Xiao Zhang, Qi Li, Paul Erhart, and Daniel Åberg (2017): Excitons in scintillator materials: Optical properties and electron-energy loss spectra of NaI, LaBr3, BaI2, and SrI2, Journal of Materials Research, Cambridge University Press, Vol 32, Num 1, pp56–63
Rebecca D. McAuliffe, Christopher A. Miller, Xiao Zhang, Benjamin S. Hulbert, Ashfia Huq, Clarina dela Cruz, André Schleife, and Daniel P. Shoemaker (2017): Structural, Electronic, and Optical Properties of K2Sn3O7 with an Offset Hollandite Structure, Inorganic Chemistry, American Chemical Society, Vol 56, Num 5, pp2914-2918

2016

Sung Jun Lim, Liang Ma, André Schleife, and Andrew M. Smith (2016): Quantum dot surface engineering: Toward inert fluorophores with compact size and bright, stable emission, Coordination Chemistry Reviews, Elsevier B.V., Vol 320-321, pp216-237

2015

Joel B. Varley and André Schleife (2015): Bethe-Salpeter Calculation of Optical-Absorption Spectra of In2O3 and Ga2O3, Semiconductor Science and Technology, IOP Publishing, Vol 30, Num 2, pp024010

2014

Andre Schleife, Erik W. Draeger, Victor M. Anisimov, Alfredo A. Correa, and Yosuke Kanai (2014): Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers, Computing in Science & Engineering, Institute of Electrical & Electronics Engineers, Vol 16, Num 5, pp54-60

2019

André Schleife, Ethan Shapera (2019): Discovery of New Plasmonic Materials via High-Throughput Machine Learning, 2019 Blue Waters Annual Report, pp180-181
André Schleife, Alina Kononov (2019): Electron Dynamics of Ion-Irradiated Two-Dimensional Materials, 2019 Blue Waters Annual Report, pp178-179

2018

Andre Schleife (2018): MAGNETO-OPTICAL KERR EFECT OF ANTIFERROMAGNETIC MATERIALS IN EXTERNAL MAGNETIC FIELDS, Blue Waters annual-book summary slide
André Schleife, Alina Kononov (2018): Electron Dynamics of Ion-Irradiated Graphene, Blue Waters annual-book summary slide
André Schleife, Kisung Kang (2018): Magneto-Optical Kerr Effect of Antiferromagnetic Materials in External Magnetic Fields, 2018 Blue Waters Annual Report, pp110-111
André Schleife, Alina Kononov (2018): Electron Dynamics of Ion-Irradiated Graphene, 2018 Blue Waters Annual Report, pp108-109

2017

Andre Schleife (2017): Optical Determination of Crystal Phase in Semiconductor Nanocrystals, Blue Waters annual-book summary slide
Andre Schleife (2017): Optical Determination of Crystal Phase in Semiconductor Nanocrystals, 2017 Blue Waters Annual Report, pp156-157

2016

Andre Schleife (2016): Lattice Screening and Optical Properties of Novel Perovskite Photovoltaic Materials, 2016 Blue Waters Annual Report, pp136-138
André Schleife (2016): Non-Adiabatic Ultrafast Electron-Ion Dynamics Near Aluminum Surfaces, 2016 Blue Waters Annual Report, pp148-149

2015

Andre Schleife (2015): Theoretical Spectroscopy for Transparent Conducting Oxides, 2015 Blue Waters Annual Report, pp108-109

Blue Waters Illinois allocations awarded to 26 research teams


Mar 7, 2017

Twenty-six research teams at the University of Illinois at Urbana-Champaign have been allocated computation time on the National Center for Supercomputing Application's (NCSA) sustained-petascale Blue Waters supercomputer after applying in Fall 2016. These allocations range from 25,000 to 600,000 node-hours of compute time over a time span of either six months or one year. The research pursuits of these teams are incredibly diverse, ranging anywhere from physics to political science.


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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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12 Illinois faculty awarded prestigious Blue Waters Professorships


Feb 4, 2014

Twelve University of Illinois faculty members from a range of fields have been selected as Blue Waters Professors, an honor that comes with substantial computing and data resources on the Blue Waters supercomputer at the university’s National Center for Supercomputing Applications (NCSA).


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