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19942026
most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

Showing 2018Show all

25 papers · 1 filter

cond-mat.soft2018★ 58 cited

Crucial role of fragmented and isolated defects in persistent relaxation of deeply supercooled water

Shinji Saito, Biman Bagchi, Iwao Ohmine

Properties of water have been well elucidated for temperatures above 230 K and yet mysteries remain in the deeply supercooled region. By performing extensive molecular dynami…

cond-mat.soft2018

Exploration of vitrification of water and Kauzmann entropy through complex specific heat: A journey through 'No Man's Land'

Shinji Saito, Biman Bagchi

Frequency dependent specific heat, introduced by Grest and Nagel, offers valuable insight into the vitrification of supercooled liquid. We calculate this quantity and other thermod…

cond-mat.supr-con2018★ 21 cited

Nematicity in the pseudogap state of cuprate superconductors revealed by angle-resolved photoemission spectroscopy

S. Nakata, M. Horio, K. Koshiishi +9

The nature of the pseudogap and its relationship with superconductivity are one of the central issues of cuprate superconductors. Recently, a possible scenario has been proposed th…

cond-mat.soft2018★ 46 cited

Spurious violation of the Stokes-Einstein-Debye relation in supercooled water

Takeshi Kawasaki, Kang Kim

The theories of Brownian motion, the Debye rotational diffusion model, and hydrodynamics together provide us with the Stokes--Einstein--Debye (SED) relation between the rotational…

physics.optics2018★ 65 cited

Time-dependent density functional theory for interaction of ultrashort light pulse with thin materials

Shunsuke Yamada, Masashi Noda, Katsuyuki Nobusada +1

We present a comprehensive theoretical description for an irradiation of an ultrashort light pulse normally on thin materials based on first-principles time-dependent density funct…

cond-mat.mtrl-sci2018★ 38 cited

Ultrafast demagnetization of Pt magnetic moment in L1-FePt probed by hard x-ray free electron laser

Kohei Yamamoto, Yuya Kubota, Motohiro Suzuki +15

We demonstrate ultrafast magnetization dynamics in a 5d transition metal using circularly-polarized x-ray free electron laser in the hard x-ray region. A decay time of light-induce…