Shiwei Zhang

2015

Huihuo Zheng and Lucas K. Wagner (2015): Computation of the Correlated Metal-Insulator Transition in Vanadium Dioxide from First Principles, Physical Review Letters, American Physical Society, Vol 114, Num 17

2013

Fengjie Ma, Shiwei Zhang, and Henry Krakauer (2013): Excited State Calculations in Solids by Auxiliary-Field Quantum Monte Carlo, New Journal of Physics, IOP Publishing and Deutsche Physikalische Gesellschaft, Vol 15, Num 9, pp093017
Shiwei Zhang (2013): Auxiliary-Field Quantum Monte Carlo for Correlated Electron Systems, Verlag des Forschungszentrum Jülich, Emergent Phenomena in Correlated Matter Modeling and Simulation, Vol. 3 (Lecture notes of the Autumn School on Correlated Electrons 2013), Jülich, Germany
Wirawan Purwanto, Shiwei Zhang, and Henry Krakauer (2013): Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo, Journal of Chemical Theory and Computation, American Chemical Society, Vol 9, Num 11, pp4825-4833
Hao Shi and Shiwei Zhang (2013): Symmetry in Auxiliary-Field Quantum Monte Carlo Calculations, Physical Review B, American Physical Society, Vol 88, Num 12

2012

Kenneth Esler, Jeongnim Kim, David Ceperley, and Luke Shulenburger (2012): Accelerating Quantum Monte Carlo Simulations of Real Materials on GPU Clusters, Computing in Science & Engineering, Institute of Electrical & Electronics Engineers, Vol 14, Num 1, pp40-51
Jeongnim Kim, Kenneth P. Esler, Jeremy McMinis, Miguel A. Morales, Bryan K. Clark, Luke Shulenburger, and David M. Ceperley (2012): Hybrid Algorithms in Quantum Monte Carlo, IOP Publishing, Journal of Physics: Conference Series (IUPAP C20 Conference on Computational Physics, CCP 2011), Vol 402, pp012008, Gatlinburg, Tennessee, U.S.A.

Shiwei Zhang: Computing electron correlation effects: an auxiliary-field perspective


Condensed Matter Seminar (Duke University); Durham, North Carolina, U.S.A., Nov 10, 2016

Shiwei Zhang: Auxiliary-Field Quantum Monte Carlo for Correlated Electron Systems


Autumn School on Correlated Electrons 2013: Jülich, Germany, Sep 26, 2013

Fengjie Ma, S. Zhang, H. Krakauer, and W. Purwanto: Auxiliary-Field Quantum Monte Carlo Calculations in Solids


25th Annual Workshop on Recent Developments in Electronic Structure Methods (ES2013); Williamsburg, Virginia, U.S.A., Jun 13, 2013

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

4 applications sustain 1 petaflop on Blue Waters


Jan 29, 2013

Four large-scale science applications (VPIC, PPM, QMCPACK and SPECFEM3DGLOBE) have sustained performance of 1 petaflop or more on the Blue Waters supercomputer, and the Weather Research & Forecasting (WRF) run on Blue Waters is the largest WRF simulation ever documented. These applications are part of the NCSA Blue Waters Sustained Petascale Performance (SPP) suite and represent valid scientific workloads. VPIC VPIC integrates the relativistic Maxwell-Boltzmann system in a linear background medium for multiple particle species, in time with an explicit-implicit mixture of velocity Verlet, leapfrog, Boris rotation and exponential differencing based on a reversible phase-space volume conserving second order Trotter factorization. The Petascale Computing Resource Allocation (PRAC) team led by Homayoun Karimabadi (University of California-San Diego) is using VPIC in for kinetic simulations of magnetic reconnection of high temperature plasmas (H+ and e-).


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