메뉴 건너뛰기




Volumn 16, Issue 5, 2014, Pages 54-60

Quantum dynamics simulation of electrons in materials on high-performance computers

Author keywords

computational materials science; high performance computing; HPC; quantum electron dynamics; scientific computing

Indexed keywords

COMPUTATIONAL MATERIALS SCIENCE; HIGH-PERFORMANCE COMPUTERS; HIGH-PERFORMANCE COMPUTING; HPC; QUANTUM DYNAMICS SIMULATION; QUANTUM ELECTRON DYNAMICS;

EID: 84908090547     PISSN: 15219615     EISSN: None     Source Type: Journal    
DOI: 10.1109/MCSE.2014.55     Document Type: Article
Times cited : (57)

References (13)
  • 1
    • 0033235339 scopus 로고    scopus 로고
    • Nobel lecture: Electronic structure of matter-wave functions and density functionals
    • W. Kohn, "Nobel Lecture: Electronic Structure of Matter-Wave Functions and Density Functionals," Rev. Mod. Physics, vol. 71, no. 5, 1999, pp. 1253-1266; http://dx.doi.org/10.1103/RevModPhys.71.1253.
    • (1999) Rev. Mod. Physics , vol.71 , Issue.5 , pp. 1253-1266
    • Kohn, W.1
  • 3
    • 79955634080 scopus 로고    scopus 로고
    • A High-Throughput Infrastructure for Density Functional Theory Calculations
    • A. Jain et al., "A High-Throughput Infrastructure for Density Functional Theory Calculations," Computational Materials Science, vol. 50, no. 8, 2011, pp. 2295-2310; http://dx.doi.org/10.1016/j.commatsci.2011.02.023.
    • (2011) Computational Materials Science , vol.50 , Issue.8 , pp. 2295-2310
    • Jain, A.1
  • 4
    • 77949962141 scopus 로고    scopus 로고
    • Theory and simulation of nanostructured materials for photovoltaic applications
    • Y. Kanai, J.B. Neaton, and J.C. Grossman, "Theory and Simulation of Nanostructured Materials for Photovoltaic Applications," Computing in Science & Eng., vol. 12, no. 2, 2010, pp. 18-27; http://dx.doi.org/10.1109/MCSE.2010.50.
    • (2010) Computing in Science & Eng. , vol.12 , Issue.2 , pp. 18-27
    • Kanai, Y.1    Neaton, J.B.2    Grossman, J.C.3
  • 6
    • 84973654655 scopus 로고
    • The quantum theory of molecules
    • M. Born and J.R. Oppenheimer, "The Quantum Theory of Molecules," Annalen der Physik [Annals of Physics], vol. 389, no. 20, 1927, pp. 457-484; http://dx.doi.org/10.1002/andp.19273892002.
    • (1927) Annalen der Physik [Annals of Physics] , vol.389 , Issue.20 , pp. 457-484
    • Born, M.1    Oppenheimer, J.R.2
  • 7
    • 0012597289 scopus 로고
    • Density-functional theory for time-dependent systems
    • E. Runge and E K.U. Gross, "Density-Functional Theory for Time-Dependent Systems," Physical Rev. Letters, vol. 52, 1984, pp. 997-1000; http://dx.doi.org/10.1103/PhysRevLett.52.997.
    • (1984) Physical Rev. Letters , vol.52 , pp. 997-1000
    • Runge, E.1    Gross, E.K.U.2
  • 8
    • 34250930798 scopus 로고
    • Bemerkung über die angenäherte Gültigkeit der klassischen Mechanik innerhalb der Quantenmechanik
    • P. Ehrenfest, "Bemerkung über die angenäherte Gültigkeit der klassischen Mechanik innerhalb der Quantenmechanik [Remarks about the Approximate Validity of Classical Mechanics within Quantum Mechanics]," J. Zeitschrift für Physik [J. of Physics], vol. 45, nos. 7-8, 1927, pp. 455-457; http://dx.doi.org/10.1007/BF01329203.
    • (1927) J. Zeitschrift für Physik [J. of Physics] , vol.45 , Issue.7-8 , pp. 455-457
    • Ehrenfest, P.1
  • 9
    • 84871247635 scopus 로고    scopus 로고
    • Plane-wave pseudopotential implementation of explicit integrators for time-dependent kohn-sham equations in large-scale simulations
    • article no.22A546
    • A. Schleife et al., "Plane-Wave Pseudopotential Implementation of Explicit Integrators for Time-Dependent Kohn-Sham Equations in Large-Scale Simulations," J. Chemical Physics, vol. 137, 2012, article no. 22A546; http://dx.doi.org/10.1063/1.4758792.
    • (2012) J. Chemical Physics , vol.137
    • Schleife, A.1
  • 10
    • 84877721420 scopus 로고    scopus 로고
    • tech. report, Univ. of California, Davis
    • F. Gygi, Qbox Open Source Code Project, tech. report, Univ. of California, Davis, 2014; http://eslab. ucdavis.edu.
    • (2014) Qbox Open Source Code Project
    • Gygi, F.1
  • 11
    • 84908098252 scopus 로고    scopus 로고
    • Qb@ll Branch Tech. report, Lawrence Livermore Nat'l Laboratory
    • E.W. Draeger and F. Gygi, Qbox Qb@ll Branch, tech. report, Lawrence Livermore Nat'l Laboratory, 2014; https://asc.llnl.gov/CORAL-benchmarks/Summaries/QBox-Summary-v1.2.pdf.
    • (2014) Qbox
    • Draeger, E.W.1    Gygi, F.2
  • 12
    • 84861610123 scopus 로고    scopus 로고
    • article no. 213201
    • A.A. Correa et al., Phys. Rev. Letters, vol. 108, 2012, article no. 213201; http://dx.doi.org/10.1103/Phys RevLett.108.213201.
    • (2012) Phys. Rev. Letters , vol.108
    • Correa, A.A.1
  • 13


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.