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Lucas Wagner

University of Illinois at Urbana-Champaign

Materials Research


Josh Schiller, Alexander Munoz, Lucas K. Wagner, and Elif Ertekin (2018): Benchmarking superexchange parameters in the monoxides using quantum Monte Carlo, (in progress)
Brian D. Busemeyer, Greg MacDougall, and Lucas K. Wagner (2018): Singlet-triplet excitation in MgTi2O4 computed by quantum Monte Carlo, (in progress)


Joshua A. Schiller, Ray Plante, Lucas K. Wagner, Elif Ertekin (2017): Quantum Monte Carlo Database and Autogen: a shared community tool for many-body statistical simulations of materials, (submitted)
Yu, Jaehyung and Wagner, Lucas K. and Ertekin, Elif (2017): Fixed-node diffusion Monte Carlo description of nitrogen defects in zinc oxide, Physical Review B, American Physical Society, Vol 95, Num 7, pp075209


Yanbin Wu, Lucas K. Wagner, and Narayana R. Aluru (2016): Hexagonal Boron Nitride and Water Interaction Parameters, The Journal of Chemical Physics, AIP Publishing, Vol 144, Num 16, pp164118


Jaehyung Yu, Lucas K. Wagner, Elif Ertekin (2015): Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: case study of zinc selenide and zinc oxide, The 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, Phys. Rev. B, American Physical Society (APS), Vol 92, Num 23, pp235209
Huihuo Zheng, and Lucas K. Wagner (2015): Computation of the Correlated Metal-Insulator Transition in Vanadium Dioxide from First Principles, Phys. Rev. Lett., American Physical Society (APS), Vol 114, Num 17
Yanbin Wu, Lucas K. Wagner, and Narayana R. Aluru (2015): The Interaction Between Hexagonal Boron Nitride and Water from First Principles, The Journal of Chemical Physics, AIP Publishing, Vol 142, Num 23, pp234702


Lucas K. Wagner, and Peter Abbamonte (2014): Effect of Electron Correlation on the Electronic Structure and Spin-Lattice Coupling of High-Tc Cuprates: Quantum Monte Carlo Calculations, Phys. Rev. B, American Physical Society (APS), Vol 90, Num 12


Lucas Wagner (2017): Quantum Monte Carlo simulations of magnetism and models in condensed matter, 2017 Blue Waters Annual Report, pp164-165

Lucas Wagner and P. Abbamonte: Anomalous Spin and Lattice Coupling in La2CuO4 Calculated by First-Principles Quantum Monte Carlo

2013 Gordon Research Conference on Superconductivity; Les Diablerets, Switzerland, May 13, 2013

Lucas Wagner: Can We Understand the High-Tc Superconducting Cuprates from First Principles?

8th Quantum Monte Carlo in the Apuan Alps International Workshop; Vallico Sotto, Italy, Jul 29, 2013

Huihuo Zheng and L. K. Wagner: Ab initio Study of Metal-Insulator Transition in VO2

American Physical Society March Meeting 2013; Baltimore, Maryland, U.S.A., Mar 18, 2013

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.”


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.


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.


Medley of Monte Carlo

May 28, 2015

What do superconductors and the intergalactic medium have in common? Scientists study both on Blue Waters using something called Monte Carlo methods. Monte Carlo methods are widely used in computational sciences because they allow researchers to find a solution to a problem that is intractable to answer directly. ... Robert Sugar, a professor emeritus at the University of California in Santa Barbara, and the MILC collaboration use Blue Waters to study quarks, the subatomic particles that make up the better-known protons and neutrons in the atomic nucleus. Lucas Wagner, professor of physics at the University of Illinois at Urbana-Champaign, experiments with the interactions between electrons in strongly correlated materials that change properties depending on temperature and pressure and under certain conditions become superconductors.