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In recent years, predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed matter, including Dirac and topological materials.
The recursive solution of the schrodinger equation,
R. Haydock, · 1947
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Quantum Transport in Semiconductor Nanostructures,
C. Beenakker, H. van Houten, · 1947
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An iteration method for the solution of the eigenvalue problem of linear differential and integral operators,
C. Lanczos, · 1950
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Metallic Phase with Long-Range Orientational Order and No Translational Symmetry,
D. Shechtman, I. Blech, D. Gratias, J. W. Cahn, · 1951
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The Effect of a Magnetic Field on Electrons in a Periodic Potential,
J. M. Luttinger, · 1951
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Theory of the effect of spin-orbit coupling on magnetic resonance in some semiconductors,
R. J. Elliott, · 1954
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Spatial Variation of Currents and Fields Due to Localized Scatterers in Metallic Conduction,
R. Landauer, · 1957
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Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems,
R. Kubo, · 1957
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Theory of Superconductivity,
J. Bardeen, L. N. Cooper, J. R. Schrieffer, · 1957
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The Boltzmann Equation in the Theory of Electrical Conduction in Metals,
D. A. Greenwood, · 1958
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On Quantum Theory of Transport Phenomena,
S. Nakajima, · 1958
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Absence of Diffusion in Certain Random Lattices,
P. W. Anderson, · 1958
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On the Electrical Conductivity of Metals,
G. V. Chester, A. Thellung, · 1959
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Studies of polaron motion: Part II. The "small" polaron,
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The Law of Wiedemann and Franz,
G. V. Chester, A. Thellung, · 1961
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Evaluation of Kubo’s formula for the impurity resistance of an interacting electron gas,
J. S. Langer, · 1962
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L. P. Kadanoff, G. Baym, Quantum Statistical Mechanics: Green’s Function Methods in Equilibrium and Nonequilibrium Problems, Benjamin, New York, 1962
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g Factors and Spin-Lattice Relaxation of Conduction Electrons,
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Inhomogeneous Electron Gas,
P. Hohenberg, W. Kohn, · 1964
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Self-Consistent Equations Including Exchange and Correlation Effects,
W. Kohn, L. J. Sham, · 1965
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Diagram Technique for Nonequilibrium Processes,
L. V. Keldysh, · 1965
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Spin Orientation of Electrons Associated with the Interband Absorption of Light in Semiconductors,
M. I. D’yakonov, V. I. Perel’, · 1965
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The fluctuation-dissipation theorem,
R. Kubo, · 1966
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Electrical resistance of disordered one-dimensional lattices,
R. Landauer, · 1970
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Quantum oscillations of the hall effect of a fermion gas with random impurity scattering,
A. Bastin, C. Lewiner, O. Betbeder-matibet, P. Nozieres, · 1971
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Direct calculation of the tunneling current,
C. Caroli, R. Combescot, P. Nozieres, D. Saint-James, · 1971
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Electronic structure based on the local atomic environment for tight-binding bands,
R. Haydock, V. Heine, M. J. Kelly, · 1972
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S. Doniach, E. H. Sondheimer, Green’s Functions for Solid State Physicists, Addison-Wesley, 1974
1974
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Electronic structure based on the local atomic environment for tight-binding bands. II,
R. Haydock, V. Heine, M. J. Kelly, · 1975
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I. S. Gradshteyn, I. M. Ryzhik, Table of Integrals, Series, and Products, 7th Edition, Elsevier, Academic Press, 1975
1975
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Exact results for a three-dimensional alloy with site diagonal disorder: comparison with the coherent potential approximation,
R. Alben, M. Blume, H. Krakauer, L. Schwartz, · 1975
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N. Ashcroft, N. Mermin, Solid State Physics, Saunders College, Philadelphia, 1976
1976
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Scaling Theory of Localization: Absence of Quantum Diffusion in Two Dimensions,
E. Abrahams, P. W. Anderson, D. C. Licciardello, T. V. Ramakrishnan, · 1979
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Particle conductivity in a two-dimensional random potential,
L. Gor’kov, A. Larkin, D. Khmel’nitskii, · 1979
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Magnetoresistance and hall effect in a disordered two-dimensional electron gas,
B. Altshuler, D. Khmel’nitzkii, A. Larkin, P. Lee, · 1980
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New method for a scaling theory of localization,
P. W. Anderson, D. J. Thouless, E. Abrahams, D. S. Fisher, · 1980
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Spin-Orbit Interaction and Magnetoresistance in the Two Dimensional Random System,
S. Hikami, A. I. Larkin, Y. Nagaoka, · 1980
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Conductivity of the disordered linear chain,
D. J. Thouless, S. Kirkpatrick, · 1981
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One-Parameter Scaling of Localization Length and Conductance in Disordered Systems,
A. MacKinnon, B. Kramer, · 1981
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Effect of localization on the hall conductivity in the two-dimensional system in strong magnetic fields,
H. Aoki, T. Ando, · 1981
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Theory of quantised Hall conductivity in two dimensions,
P. Streda, · 1982
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Solution of the Schrodinger equation by a spectral method,
M. Feit, J. Fleck, A. Steiger, · 1982
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Quantized Hall Conductance in a Two-Dimensional Periodic Potential,
D. J. Thouless, M. Kohmoto, M. P. Nightingale, M. den Nijs, · 1982
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An accurate and efficient scheme for propagating the time dependent Schrödinger equation,
H. Tal-Ezer, R. Kosloff, · 1984
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D. Petitfor, D. Weaire, Recursion Method and its Applications (Springer Series in Solid States Sciences, Vol. 58
1985
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Disordered electronic systems,
P. A. Lee, T. V. Ramakrishnan, · 1985
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Generalized many-channel conductance formula with application to small rings,
M. Büttiker, Y. Imry, R. Landauer, S. Pinhas, · 1985
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R. Kubo, M. Toda, N. Hashitsume, Statistical Physics II: Nonequilibrium Statistical Mechanics, Springer-Verlag Berlin Heidelberg, 1985
1985
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J. K. Cullum, R. A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalue Computations, Birkhäuser, 1985
1985
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Highly convergent schemes for the calculation of bulk and surface Green functions,
M. P. L. Sancho, J. M. L. Sancho, J. M. L. Sancho, J. Rubio, · 1985
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Aharonov-Bohm Effect for the Quantum Hall Conductivity on a Disordered Lattice,
H. Aoki, · 1985
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Quantum field-theoretical methods in transport theory of metals,
J. Rammer, H. Smith, · 1986
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Transport equation for weakly localized electrons,
S. Hershfield, V. Ambegaokar, · 1986
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Weak localization: The quasiclassical theory of electrons in a random potential,
S. Chakravarty, A. Schmid, · 1986
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What is Measured when You Measure a Resistance? – The Landauer Formula Revisited,
S. D. Stone, A. Szafer, · 1988
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Calculation of the Conductivity in the Short-Mean-Free-Path Regime,
D. Mayou, · 1988
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Quantized conductance of point contacts in a two-dimensional electron gas,
B. J. van Wees, H. van Houten, C. W. J. Beenakker, J. G. Williamson, L. P. Kouwenhoven, D. van der Marel, C. T. Foxon, · 1988
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One-dimensional transport and the quantisation of the ballistic resistance,
D. A. Wharam, T. J. Thornton, R. Newbury, M. Pepper, H. Ahmed, J. E. F. Frost, D. G. Hasko, D. C. Peacock, D. A. Ritchie, G. A. C. Jones, · 1988
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Electrical linear-response theory in an arbitrary magnetic field: A new fermi-surface formation,
H. U. Baranger, A. D. Stone, · 1989
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D. Pines, P. Nozieres, The Theory of Quantum Liquids, Addison-Wesley, California, 1989
1989
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The eigenvalues of mega-dimensional matrices,
J. Skilling, · 1989
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W. A. Harrison, Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond, Dover Publications, 1989
1989
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A comparison of different propagation schemes for the time dependent Schr’́odinger equation,
C. Leforestier, R. Bisseling, C. Cerjan, M. Feit, R. Friesner, A. Guldberg, A. Hammerich, G. Jolicard, W. Karrlein, H.-D. Meyer, N. Lipkin, O. Roncero, R. Kosloff, · 1991
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The n = 0 replica limit of u(n) and u(n)so(n) models,
R. Gade, F. Wegner, · 1991
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Real-space calculation of the electrical resistivity of liquid 3d transition metals using tight-binding linear muffin-tin orbitals,
S. K. Bose, O. Jepsen, O. K. Andersen, · 1993
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Maximum entropy approach for linear scaling in the electronic structure problem,
D. A. Drabold, O. F. Sankey, · 1993
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Localization: theory and experiment,
B. Kramer, A. MacKinnon, · 1993
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Anderson localization for sublattice models,
R. Gade, · 1993
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V. Viswanath, G. Müller, The Recursion Method: Application to Many-Body Dynamics (Lectures Notes in Physics, Vol. 23
1994
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The Anderson-Mott transition,
D. Belitz, T. R. Kirkpatrick, · 1994
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Densities of States of Mega-Dimensional Hamiltonian Matrices,
R. N. Silver, H. Röder, · 1994
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Correlated electrons in high-temperature superconductors,
E. Dagotto, · 1994
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Dielectric Constants of Silicon Quantum Dots,
L.-W. Wang, A. Zunger, · 1994
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Calculating the density of states and optical-absorption spectra of large quantum systems by the plane-wave moments method,
L.-W. Wang, · 1994
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The moments method and damped systems,
C. Benoit, · 1994
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An electronic structure and resistivity calculation for liquid La,
S. K. Bose, O. Jepsen, O. K. Andersen, · 1994
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A Real-Space Approach to Electronic Transport,
D. Mayou, S. Khanna, · 1995
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Determination of the green functions for systems with large asymmetric matrices by the moments method,
C. Benoit, G. Poussigue, V. Rousseau, Z. Lakhliai, D. Chenouni, · 1995
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S. Datta, Electonic transport in mesoscopic systems, Cambridge University Press, 1995
1995
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Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon,
D. Porezag, T. Frauenheim, T. Köhler, G. Seifert, R. Kaschner, · 1995
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Kernel Polynomial Approximations for Densities of States and Spectral Functions,
R. Silver, H. Roeder, A. Voter, J. Kress, · 1996
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H. Haug, A.-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors, Springer-Verlag, 1996
1996
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Conductivity of Quasiperiodic Systems: A Numerical Study,
S. Roche, D. Mayou, · 1997
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Electronic transport properties of quasicrystals,
S. Roche, G. Trambly de Laissardière, D. Mayou, · 1997
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Calculation of densities of states and spectral functions by Chebyshev recursion and maximum entropy,
R. N. Silver, H. Röder, · 1997
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D. K. Ferry, S. M. Goodnick, Transport in nanostructures, Cambridge University Press, 1997
1997
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Carbon Nanotube Quantum Resistors,
S. Frank, P. Poncharal, Z. L. Wang, W. A. de Heer, · 1998
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Quantum Transport in Two-Dimensional Graphite System,
N. Shon, T. Ando, · 1998
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Electronic structure and related properties of metallic glasses: Linear muffin-tin orbital approach,
S. K. Bose, · 1998
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Nobel Lecture: Electronic structure of matter—wave functions and density functionals,
W. Kohn, · 1999
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Quantum transport of electrons in open nanostructures with the wigner-function formalism,
P. Bordone, M. Pascoli, R. Brunetti, A. Bertoni, C. Jacoboni, A. Abramo, · 1999
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Quantum transport by means of O ( N ) \mathrm{O}(N) real-space methods,
S. Roche, · 1999
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Electronic structure of liquid mercury,
S. K. Bose, · 1999
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Spin hall effect,
J. E. Hirsch, · 1999
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G. D. Mahan, Many-Particle Physics, Plenum Press, 2000
2000
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Wave-packet dynamics by optimized polynomials methods,
F. Triozon, S. Roche, D. Mayou, · 2000
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Fast algorithm for finding the eigenvalue distribution of very large matrices,
A. Hams, H. De Raedt, · 2000
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Deconstructing kubo formula usage: Exact conductance of a mesoscopic system from weak to strong disorder limit,
B. K. Nikolić, · 2001
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Magnetoresistance of Carbon Nanotubes: From Molecular to Mesoscopic Fingerprints,
S. Roche, R. Saito, · 2001
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Conduction mechanisms and magnetotransport in multiwalled carbon nanotubes,
S. Roche, F. Triozon, A. Rubio, D. Mayou, · 2001
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J. P. Boyd, Chebyshev and Fourier Spectral Methods: Second Revised Edition (Dover Books on Mathematics), Dover Publications, 2001
2001
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Theory of the anomalous Hall effect from the Kubo formula and the Dirac equation,
A. Crépieux, P. Bruno, · 2001
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Theory of Faraday rotation beats in quantum wells with large spin splitting,
V. N. Gridnev, · 2001
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Quantum dynamics in two- and three-dimensional quasiperiodic tilings,
F. Triozon, J. Vidal, R. Mosseri, D. Mayou, · 2002
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Density-functional method for nonequilibrium electron transport,
M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, K. Stokbro, · 2002
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Y. Saad, Iterative Methods for Sparse Linear Systems, Society for Industrial and Applied Mathematics, 2003
2003
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Unified particle approach to wigner-boltzmann transport in small semiconductor devices,
M. Nedjalkov, H. Kosina, S. Selberherr, C. Ringhofer, D. K. Ferry, · 2004
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Mesoscopic Transport in Chemically Doped Carbon Nanotubes,
S. Latil, S. Roche, D. Mayou, J.-C. Charlier, · 2004
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Electrical transport in carbon nanotubes: Role of disorder and helical symmetries,
F. Triozon, S. Roche, A. Rubio, D. Mayou, · 2004
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Random phase vector for calculating the trace of a large matrix,
T. Iitaka, T. Ebisuzaki, · 2004
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Scattering and Bound States: A Lorentzian Function-Based Spectral Filter Approach,
A. Vijay, D. J. Kouri, D. K. Hoffman, · 2004
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Chebyshev expansion approach to the AC conductivity of the Anderson model,
A. Weisse, · 2004
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Electric Field Effect in Atomically Thin Carbon Films,
K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, A. A. Firsov, · 2004
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Electron-Phonon Scattering in Metallic Single-Walled Carbon Nanotubes,
J.-Y. Park, S. Rosenblatt, Y. Yaish, V. Sazonova, H. Ustunel, S. Braig, T. A. Arias, P. W. Brouwer, P. L. McEuen, · 2004
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Anisotropy effects in phonon-assisted charge-carrier transport in organic molecular crystals,
K. Hannewald, P. A. Bobbert, · 2004
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Elastomeric Transistor Stamps: Reversible Probing of Charge Transport in Organic Crystals,
V. C. Sundar, J. Zaumseil, V. Podzorov, E. Menard, R. L. Willett, T. Someya, M. E. Gershenson, J. A. Rogers, · 2004
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Intrinsic Charge Transport on the Surface of Organic Semiconductors,
V. Podzorov, E. Menard, A. Borissov, V. Kiryukhin, J. A. Rogers, M. E. Gershenson, · 2004
Cited alongside, same era.
Prediction of the Absolute Charge Mobility of Molecular Semiconductors: the Case of Rubrene,
A. Troisi, · 2004
Cited alongside, same era.
Spintronics: Fundamentals and applications,
I. Žutić, J. Fabian, S. Das Sarma, · 2004
Cited alongside, same era.
Spin current and polarization in impure two-dimensional electron systems with spin-orbit coupling,
E. G. Mishchenko, A. V. Shytov, B. I. Halperin, · 2004
Cited alongside, same era.
Suppression of the persistent spin Hall current by defect scattering,
J. I. Inoue, G. E. W. Bauer, L. W. Molenkamp, · 2004
Cited alongside, same era.
Electronic transport in carbon nanotubes with random coverage of physisorbed molecules,
Conductivity of Graphene with Resonant and Nonresonant Adsorbates,
G. Trambly De Laissardière, D. Mayou, · 2013
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Anomalous electronic transport in quasicrystals and related complex metallic alloys,
G. Trambly De Laissardière, D. Mayou, · 2013
Later among the works it cites.
Efficient linear-scaling quantum transport calculations on graphics processing units and applications on electron transport in graphene,
Z. Fan, A. Uppstu, T. Siro, A. Harju, · 2013
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The recursive Green’s function method for graphene,
C. H. Lewenkopf, E. R. Mucciolo, · 2013
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Numerical simulations of time-resolved quantum electronics,
B. Gaury, J. Weston, M. Santin, M. Houzet, C. Groth, X. Waintal, · 2013
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Computational Physics on Graphics Processing Units,
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S. Latil, S. Roche, J.-C. Charlier, · 2005
Cited alongside, same era.
Anomalous Hall effect in a two-dimensional electron gas with spin-orbit interaction,
V. K. Dugaev, P. Bruno, M. Taillefumier, B. Canals, C. Lacroix, · 2005
Cited alongside, same era.
Efficient linear scaling method for computing the landauer-büttiker conductance,
F. Triozon, S. Roche, · 2005
Cited alongside, same era.
Optical response of electrons in a random potential,
A. Weiße, G. Schubert, H. Fehske, · 2005
Cited alongside, same era.
Quantum Dephasing in Carbon Nanotubes due to Electron-Phonon Coupling,
S. Roche, J. Jiang, F. Triozon, R. Saito, · 2005
Cited alongside, same era.
Two-dimensional atomic crystals,
K. S. Novoselov, D. Jiang, F. Schedin, T. J. Booth, V. V. Khotkevich, S. V. Morozov, A. K. Geim, · 2005
Cited alongside, same era.
Conductance and coherence lengths in disordered carbon nanotubes: Role of lattice defects and phonon vibrations,
S. Roche, J. Jiang, F. Triozon, R. Saito, · 2005
Cited alongside, same era.
A. Harju, T. Siro, F. F. Canova, S. Hakala, T. Rantalaiho, · 2013
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Conduction Tuning of Graphene Based on Defect-Induced Localization,
S. Nakaharai, T. Iijima, S. Ogawa, S. Suzuki, S.-L. Li, K. Tsukagoshi, S. Sato, N. Yokoyama, · 2013
Later among the works it cites.
Electronic and Transport Properties of Unbalanced Sublattice N-Doping in Graphene,
A. Lherbier, A. R. Botello-Méndez, J.-C. Charlier, · 2013
Later among the works it cites.
Broken Symmetries, Zero-Energy Modes, and Quantum Transport in Disordered Graphene: From Supermetallic to Insulating Regimes,
A. Cresti, F. Ortmann, T. Louvet, D. Van Tuan, S. Roche, · 2013
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Review of Chemical Vapor Deposition of Graphene and Related Applications,
Y. Zhang, L. Zhang, C. Zhou, · 2013
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Scaling Properties of Charge Transport in Polycrystalline Graphene,
D. Van Tuan, J. Kotakoski, T. Louvet, F. Ortmann, J. C. Meyer, S. Roche, · 2013
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Large-scale Mesoscopic Transport in Nanostructured Graphene,
H. Zhang, J. Lu, W. Shi, Z. Wang, T. Zhang, M. Sun, Y. Zheng, Q. Chen, N. Wang, J.-J. Lin, P. Sheng, · 2013
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Highly defective graphene: A key prototype of two-dimensional anderson insulators,
A. Lherbier, S. Roche, O. A. Restrepo, Y.-M. Niquet, A. Delcorte, J.-C. Charlier, · 2013
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Finite temperature inelastic mean free path and quasiparticle lifetime in graphene,
Q. Li, S. Das Sarma, · 2013
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Chebyshev expansion for impurity models using matrix product states,
M. Ganahl, P. Thunström, F. Verstraete, K. Held, H. G. Evertz, · 2014
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25th Anniversary Article: Semiconductor Nanowires - Synthesis, Characterization, and Applications,
N. P. Dasgupta, J. Sun, C. Liu, S. Brittman, S. C. Andrews, J. Lim, H. Gao, R. Yan, P. Yang, · 2014
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Pseudospin-driven spin relaxation mechanism in graphene,
D. Van Tuan, F. Ortmann, D. Soriano, S. O. Valenzuela, S. Roche, · 2014
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Electronic transport in graphene with aggregated hydrogen adatoms,
F. Gargiulo, G. Autès, N. Virk, S. Barthel, M. Rösner, L. R. M. Toller, T. O. Wehling, O. V. Yazyev, · 2014
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Dirac materials,
T. Wehling, A. Black-Schaffer, A. Balatsky, · 2014
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Obtaining localization properties efficiently using the Kubo-Greenwood formalism,
A. Uppstu, Z. Fan, A. Harju, · 2014
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Numerical evaluation of green’s functions based on the chebyshev expansion,
A. Braun, P. Schmitteckert, · 2014
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Kwant: a software package for quantum transport,
C. W. Groth, M. Wimmer, A. R. Akhmerov, X. Waintal, · 2014
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Anderson localization in two-dimensional graphene with short-range disorder: One-parameter scaling and finite-size effects,
Z. Fan, A. Uppstu, A. Harju, · 2014
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Density of states in a two-dimensional chiral metal with vacancies,
P. M. Ostrovsky, I. V. Protopopov, E. J. König, I. V. Gornyi, A. D. Mirlin, M. A. Skvortsov, · 2014
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Electronic transport in disordered graphene antidot lattice devices,
S. R. Power, A.-P. Jauho, · 2014
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Anisotropic behavior of quantum transport in graphene superlattices: Coexistence of ballistic conduction with Anderson insulating regime,
J. G. Pedersen, A. W. Cummings, S. Roche, · 2014
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Atomistic modeling of coupled electron-phonon transport in nanowire transistors,
R. Rhyner, M. Luisier, · 2014
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Multiple Quantum Phases in Graphene with Enhanced Spin-Orbit Coupling: From the Quantum Spin Hall Regime to the Spin Hall Effect and a Robust Metallic State,
A. Cresti, D. Van Tuan, D. Soriano, A. W. Cummings, S. Roche, · 2014
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Detecting topological currents in graphene superlattices,
R. V. Gorbachev, J. C. W. Song, G. L. Yu, A. V. Kretinin, F. Withers, Y. Cao, A. Mishchenko, I. V. Grigorieva, K. S. Novoselov, L. S. Levitov, A. K. Geim, · 2014
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Density of states scaling at the semimetal to metal transition in three dimensional topological insulators,
K. Kobayashi, T. Ohtsuki, K.-I. Imura, I. F. Herbut, · 2014
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Density functional theory: Its origins, rise to prominence, and future,
R. O. Jones, · 2015
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Quantum transport in carbon nanotubes,
E. A. Laird, F. Kuemmeth, G. A. Steele, K. Grove-Rasmussen, J. Nygård, K. Flensberg, L. P. Kouwenhoven, · 2015
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Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems,
A. C. Ferrari, F. Bonaccorso, V. Fal’ko, K. S. Novoselov, S. Roche, P. Bøggild, S. Borini, F. H. L. Koppens, V. Palermo, N. Pugno, J. A. Garrido, R. Sordan, A. Bianco, L. Ballerini, M. Prato, E. Lidorikis, J. Kivioja, C. Marinelli, T. Ryhänen, A. Morpurgo, J. N. Coleman, V. Nicolosi, L. Colombo, A. Fert, M. Garcia-Hernandez, A. Bachtold, G. F. Schneider, F. Guinea, C. Dekker, M. Barbone, Z. Sun, C. Galiotis, A. N. Grigorenko, G. Konstantatos, A. Kis, M. Katsnelson, L. Vandersypen, A. Loiseau, V. Morandi, D. Neumaier, E. Treossi, V. Pellegrini, M. Polini, A. Tredicucci, G. M. Williams, B. Hee Hong, J.-H. Ahn, J. Min Kim, H. Zirath, B. J. van Wees, H. van der Zant, L. Occhipinti, A. Di Matteo, I. A. Kinloch, T. Seyller, E. Quesnel, X. Feng, K. Teo, N. Rupesinghe, P. Hakonen, S. R. T. Neil, Q. Tannock, T. Löfwander, J. Kinaret, · 2015
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Real-Space Calculation of the Conductivity Tensor for Disordered Topological Matter,
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Tunable room-temperature spin galvanic and spin hall effects in van der waals heterostructures,
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Spin hall effect in bilayer graphene combined with an insulator up to room temperature,
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Scaling properties of polycrystalline graphene: a review,
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Role of grain boundaries in tailoring electronic properties of polycrystalline graphene by chemical functionalization,
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Dominant source of disorder in graphene: charged impurities or ripples?,
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Spin transport in hydrogenated graphene,
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