Lucas Wagner

University of Illinois at Urbana-Champaign

Physics

2017

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

2016

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, and Elif Ertekin (2016): Quantum Monte Carlo Simulations of Nitrogen Defects in Zinc Oxide, (submitted)

2015

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

2014

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

2013

L. K. Wagner (2013): Can We Understand the High-Tc Superconducting Cuprates from First Principles?, presented at the 8th Quantum Monte Carlo in the Apuan Alps International Workshop, Vallico Sotto, Italy

Huihuo Zheng and Lucas 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

Lucas Wagner and Peter 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