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19942026
most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

Showing 2016Show all

15 papers · 1 filter

quant-ph2016★ 10 cited

Quantification of Concurrence via Weak Measurement

Mikko Tukiainen, Hirokazu Kobayashi, Yutaka Shikano

Since entanglement is not an observable per se, measuring its value in practice is a difficult task. Here we propose a protocol for quantifying a particular entanglement measure, n…

physics.optics2016★ 143 cited

Angular Momentum of Twisted Radiation from an Electron in Spiral Motion

M. Katoh, M. Fujimoto, H. Kawaguchi +7

We theoretically demonstrate for the first time that a single free electron in circular/spiral motion emits twisted photons carrying well defined orbital angular momentum along the…

physics.optics2016★ 84 cited

Twisted Radiation by Electrons in Spiral Motion

M. Katoh, M. Fujimoto, N. S. Mirian +11

We theoretically show that a single free electron in circular/spiral motion radiates an electromagnetic wave possessing helical phase structure and carrying orbital angular momentu…

quant-ph2016★ 35 cited

Quantum walks and gravitational waves

Pablo Arnault, Fabrice Debbasch

A new family of discrete-time quantum walks (DTQWs) propagating on a regular D spacetime lattice is introduced. The continuous limit of these DTQWs is shown to coincide with…

physics.acc-ph2016★ 100 cited

Gamma ray vortices from nonlinear inverse Compton scattering of circularly polarized light

Yoshitaka Taira, Takehito Hayakawa, Masahiro Katoh

Inverse Compton scattering (ICS) is an elemental radiation process that produces high-energy photons both in nature and in the laboratory. Non-linear ICS is a process in which mult…

physics.chem-ph2016★ 28 cited

Hyperfine coupling constants from internally contracted multireference perturbation theory

Toru Shiozaki, Takeshi Yanai

We present an accurate method for calculating hyperfine coupling constants (HFCCs) based on the complete active space second-order perturbation theory (CASPT2) with full internal c…

cond-mat.str-el2016★ 50 cited

Electron-hole doping asymmetry of Fermi surface reconstructed in a simple Mott insulator

Yoshitaka Kawasugi, Kazuhiro Seki, Yusuke Edagawa +6

It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high cupra…

cond-mat.quant-gas2016★ 15 cited

Time-domain Ramsey interferometry with interacting Rydberg atoms

Christian Sommer, Guido Pupillo, Nobuyuki Takei +4

We theoretically investigate the dynamics of a gas of strongly interacting Rydberg atoms subject to a time-domain Ramsey interferometry protocol. The many-body dynamics is governed…

cond-mat.str-el2016★ 92 cited

Slater to Mott crossover in the metal to insulator transition of Nd2Ir2O7

M. Nakayama, Takeshi Kondo, Z. Tian +16

We present an angle-resolved photoemission study of the electronic structure of the three-dimensional pyrochlore iridate Nd2Ir2O7 through its magnetic metal-insulator transition. O…

physics.acc-ph2016★ 1 cited

Three-dimensional Simulation of Thermal Harmonic Lasing FEL with Detuning of the Fundamental

Elham Salehi, Behrouz Maraghechi, Najmeh Sadat Mirian

Detuning of the fundamental is a way to enhance harmonic generation . By this method, the wiggler is composed of two segments in such a way that the fundamental resonance of the se…

cond-mat.mes-hall2016★ 30 cited

Spectrally resolved detection in transient-reflectivity measurements of coherent optical phonons in diamond

Kazutaka G. Nakamura, Kazuma Ohya, Hiroshi Takahashi +7

Coherent optical phonons in bulk solid system play a crucial role in understanding and designing light-matter interactions and can be detected by the transient-reflectivity measure…

cond-mat.str-el2016★ 57 cited

Surface Kondo Effect and Non-Trivial Metallic State of the Kondo Insulator YbB12

Kenta Hagiwara, Yoshiyuki Ohtsubo, Masaharu Matsunami +13

A synergistic effect between strong electron correlation and spin-orbit interaction (SOI) has been theoretically predicted to result in a new topological state of quantum matter on…

physics.chem-ph2016★ 5 cited

A screened automated structural search with semiempirical methods

Yukihiro Ota, Sergi Ruiz-Barragan, Masahiko Machida +1

We developed an interface program between a program suite for an automated search of chemical reaction pathways, GRRM, and a program package of semiempirical methods, MOPAC. A two-…

physics.chem-ph2016★ 22 cited

On the hierarchical parallelization of ab initio simulations

Sergi Ruiz-Barragan, Kazuya Ishimura, Motoyuki Shiga

A hierarchical parallelization has been implemented in a new unified code PIMD-SMASH for ab initio simulation where the replicas and the Born-Oppenheimer forces are parallelized. I…

cond-mat.soft2016★ 17 cited

Anomalous dimensionality dependence of diffusion in a rugged energy landscape : How pathological is one dimension ?

Kazuhiko Seki, Kaushik Bagchi, Biman Bagchi

Rugged (or, rough) energy landscape (REL) with spatially distributed maxima and minima are often employed in applications of physics, chemistry and biology (enzyme kinetics, protei…