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most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

Showing 2008Show all

13 papers · 1 filter

cond-mat.supr-con2008★ 120 cited

Electronic structure of heavily electron-doped BaFeCoAs studied by angle-resolved photoemission

Y. Sekiba, T. Sato, K. Nakayama +9

We have performed high-resolution angle-resolved photoemission spectroscopy on heavily electron-doped non-superconducting (SC) BaFeCoAs. We find that the two ho…

cond-mat.supr-con2008★ 359 cited

Fermi surface nesting induced strong pairing in iron-based superconductors

K. Terashima, Y. Sekiba, J. H. Bowen +10

The discovery of high-temperature superconductivity in iron pnictides raised the possibility of an unconventional superconducting mechanism in multiband materials. The observation…

cond-mat.str-el2008★ 20 cited

Origin of Middle-Infrared Peaks in Cerium Compounds

Shin-ichi Kimura, Takuya Iizuka, Yong-seung Kwon

We have demonstrated that the middle-infrared (mid-IR) peaks in the optical conductivity spectra of Ce ( = Pd, Sn, In) can be explained by first-principle band structure ca…

cond-mat.soft2008★ 18 cited

Nonequilibrium mode-coupling theory for uniformly sheared systems

Song-Ho Chong, Bongsoo Kim

We develop a nonequilibrium mode-coupling theory for uniformly sheared systems starting from microscopic, thermostatted SLLOD equations of motion. Our theory aims at describing sta…

cond-mat.str-el2008★ 22 cited

Spin and Charge Fluctuations and Lattice Effects on Charge Orders in α-(BEDT-TTF)_2I_3

Satoshi Miyashita, Kenji Yonemitsu

The effects of spin and charge fluctuations and electron-phonon couplings on charge ordering in α-(BEDT-TTF)_2I_3 (BEDT-TTF=bis(ethylenedithio)-tetrathiafulvalence) are investigate…

cond-mat.str-el2008★ 3 cited

Enhanced coherent dynamics near a transition between neutral quantum-paraelectric and ionic ferroelectric phases in the quantum Blume-Emery-Griffiths model

Kenji Yonemitsu

Nonequilibrium dynamics are studied near the quantum phase transition point in the one-dimensional quantum Blume-Emery-Griffiths model. Its pseudo-spin component represents…

cond-mat.str-el2008★ 26 cited

Excitonic Instability in the Transition from the Black Phase to the Golden Phase of SmS under Pressure Investigated by Infrared Spectroscopy

T. Mizuno, T. Iizuka, S. Kimura +4

We report the pressure-dependent optical reflectivity spectra of a strongly correlated insulator, samarium monosulfide (SmS), in the far- and middle-infrared regions to investigate…

cond-mat.str-el2008★ 24 cited

Electronic inhomogeneity in EuO: Possibility of magnetic polaron states

S. Kimura, T. Ito, H. Miyazaki +3

We have observed the spatial inhomogeneity of the electronic structure of a single-crystalline electron-doped EuO thin film with ferromagnetic ordering by employing infrared magnet…

cond-mat.soft2008★ 105 cited

Coupling/decoupling between translational and rotational dynamics in a supercooled molecular liquid

Song-Ho Chong, Walter Kob

We use molecular dynamics computer simulations to investigate the coupling/decoupling between translational and rotational dynamics in a glass-forming liquid of dumbbells. This is…

cond-mat.soft2008★ 74 cited

Connections of activated hopping processes with the breakdown of the Stokes-Einstein relation and with aspects of dynamical heterogeneities

Song-Ho Chong

We develop a new extended version of the mode-coupling theory (MCT) for glass transition, which incorporates activated hopping processes via the dynamical theory originally formula…

cond-mat.str-el2008★ 19 cited

Polaronic states with Spin-Charge-Coupled Excitation in a 1D Mott Insulator K-TCNQ

Nobuya Maeshima, Kenji Yonemitsu

We discuss photogenerated midgap states of a one-dimensional (1D) dimerized Mott insulator, potassium-tetracyanoquinodimethane (K-TCNQ). Two types of phonon modes are taken into ac…

cond-mat.str-el2008★ 37 cited

Single-Component Molecular Metals as Multiband π-d Systems

Hitoshi Seo, Shoji Ishibashi, Yoshinori Okano +4

Electronic states of single-component molecular metals M(tmdt)2 (M = Ni, Au) are studied theoretically. We construct an effective three-band Hubbard model for each material by nume…

cond-mat.str-el2008★ 41 cited

Charge Order with Structural Distortion in Organic Conductors: Comparison between θ-(ET)2RbZn(SCN)4 and α-(ET)2I3

Yasuhiro Tanaka, Kenji Yonemitsu

Charge ordering with structural distortion in quasi-two-dimensional organic conductors θ-(ET)2RbZn(SCN)4 (ET=BEDT-TTF) and α-(ET)2I3 is investigated theoretically. By using the Har…