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most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

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13 papers · 1 filter

cond-mat.str-el2005★ 40 cited

Theory of Photoinduced Phase Transitions

Kenji Yonemitsu, Keiichiro Nasu

Theories of photoinduced phase transitions have developed along with the progress in experimental studies, especially concerning their nonlinear characters and transition dynamics.…

cond-mat.str-el2005★ 47 cited

Photoinduced metallic properties of one-dimensional strongly correlated electron systems

Nobuya Maeshima, Kenji Yonemitsu

We study photoinduced optical responses of one-dimensional strongly correlated electron systems. The optical conductivity spectra are calculated for the ground state and a photoexc…

cond-mat.str-el2005★ 4 cited

Phase diagram of the excitonic insulator

B. Hülsen, F. X. Bronold, H. Fehske +1

Motivated by recent experiments, which give strong evidence for an excitonic insulating phase in , we developed a scheme to quantitatively construct, for…

cond-mat.str-el2005★ 16 cited

Mechanism of Ambipolar Field-Effect Carrier Injections in One-Dimensional Mott Insulators

Kenji Yonemitsu

To clarify the mechanism of recently reported, ambipolar carrier injections into quasi-one-dimensional Mott insulators on which field-effect transistors are fabricated, we employ t…

cond-mat.soft2005★ 39 cited

Dynamics in a supercooled liquid of symmetric dumbbells: Reorientational hopping for small molecular elongations

Angel J. Moreno, Song-Ho Chong, Walter Kob +1

We present extensive molecular dynamics simulations of a liquid of symmetric dumbbells, for constant packing fraction, as a function of temperature and molecular elongation. For la…

cond-mat.soft2005★ 65 cited

Evidence for the weak steric hindrance scenario in the supercooled-state reorientational dynamics

S. -H. Chong, A. J. Moreno, F. Sciortino +1

We use molecular-dynamics computer simulations to study the translational and reorientational dynamics of a glass-forming liquid of dumbbells. For sufficiently elongated molecules…

cond-mat.str-el2005★ 7 cited

Infrared spectroscopy under multi-extreme conditions: Direct observation of pseudo gap formation and collapse in CeSb

T. Nishi, S. Kimura, T. Takahashi +4

Infrared reflectivity measurements of CeSb under multi-extreme conditions (low temperatures, high pressures and high magnetic fields) were performed. A pseudo gap structure, which…

cond-mat.str-el2005★ 43 cited

Indirect and direct energy gaps in the Kondo semiconductor YbB12

H. Okamura, T. Michizawa, T. Nanba +3

Optical conductivity [] of the Kondo semiconductor YbB has been measured over wide ranges of temperature (=8690 K) and photon energy ( 1.3 meV). The…

physics.chem-ph2005★ 20 cited

Site-site memory equation approach in study of density/pressure dependence of translational diffusion coefficient and rotational relaxation time of polar molecular solutions: acetonitrile in water, methanol in water, and methanol in acetonitrile

A. E. Kobryn, T. Yamaguchi, F. Hirata

We present results of theoretical study and numerical calculation of the dynamics of molecular liquids based on combination of the memory equation formalism and the reference inter…

physics.chem-ph2005★ 10 cited

Study of anomalous mobility of polar molecular solutions by means of the site-site memory equation formalism

A. E. Kobryn, T. Yamaguchi, F. Hirata

In this work, the memory equation approach is applied for theoretical study of dynamics of polar molecular liquids described by the interaction site model. The study includes the t…

physics.chem-ph2005★ 11 cited

Pressure dependence of diffusion coefficient and orientational relaxation time for acetonitrile and methanol in water: DRISM/mode-coupling study

A. E. Kobryn, T. Yamaguchi, F. Hirata

We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. T…

cond-mat.str-el2005★ 12 cited

The origin of the phase separation in partially deuterated -(ET)Cu[N(CN)]Br studied by infrared magneto-optical imaging spectroscopy

T. Nishi, S. Kimura, T. Takahashi +7

The direct observation of the phase separation between the metallic and insulating states of 75 %-deuterated -(ET)Cu[N(CN)]Br () using infrared magneto-optical imag…

cond-mat.str-el2005★ 31 cited

Redistribution of electronic charges in spin-Peierls state in (TMTTF)2AsF6 observed by 13C NMR

Shigeki Fujiyama, Toshikazu Nakamura

We report ^{13}C NMR spectra and nuclear spin lattice relaxation rate 1/T_1 for a quasi-one-dimensional quarter-filled organic material (TMTTF)_{2}AsF_{6}, which undergoes charge o…