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19942026
most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

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22 papers · 1 filter

physics.optics2024★ 17 cited

Tip-Enhanced Sum Frequency Generation for Molecular Vibrational Nanospectroscopy

Atsunori Sakurai, Shota Takahashi, Tatsuto Mochizuki +1

Vibrational sum frequency generation (SFG) is a nonlinear spectroscopic technique widely used to study the molecular structure and dynamics of surface systems. However, the spatial…

cond-mat.mtrl-sci2024★ 2 cited

Magnetic resonance frequency of two-sublattice ferrimagnet with magnetic compensation temperature

Kouki Mikuni, Toshiki Hiraoka, Takumi Kuramoto +5

Ferrimagnetic materials with a compensation temperature have recently attracted interest because of their unique combination of ferromagnetic and antiferromagnetic properties. Howe…

physics.atom-ph2024★ 5 cited

Resonant stroboscopic Rydberg dressing: electron-motion coupling and multi-body interactions

Chris Nill, Sylvain de Léséleuc, Christian Groß +1

Rydberg dressing traditionally refers to a technique where interactions between cold atoms are imprinted through the far off-resonant continuous-wave excitation of high-lying Rydbe…

physics.optics2024★ 9 cited

Picocavity-Enhanced Raman Spectroscopy of Physisorbed H and D Molecules

Akitoshi Shiotari, Shuyi Liu, George Trenins +4

We report on tip-enhanced Raman spectroscopy of H2 and D2 molecules physisorbed within a plasmonic picocavity at 10 K. The intense Raman peaks resulting from the rotational and vib…

physics.atom-ph2024★ 6 cited

Measurement and feed-forward correction of the fast phase noise of lasers

Tom Denecker, Yukii Torii Chew, Oscar Guillemant +4

Lasers are the workhorse of quantum engineering in the atomic-molecular-optic community. However, phase noise of the laser, which can be especially large in popular semiconductor-b…

physics.optics2024★ 2 cited

Optimization-based hologram design for fine optical tweezer arrays and extension of super-resolution criteria

Keisuke Nishimura, Hiroto Sakai, Takafumi Tomita +2

Aligning light spots into arbitrary shapes is a fundamental challenge in holography, leading to various applications across diverse fields in science and engineering. However, as t…

quant-ph2024★ 1 cited

Transition Path and Interface Sampling of Stochastic Schrödinger Dynamics

Robson Christie, Peter G. Bolhuis, David T. Limmer

We study rare transitions in Markovian open quantum systems driven with Gaussian noise, applying transition path and interface sampling methods to trajectories generated by stochas…

physics.atom-ph2024

Atom Camera: Super-resolution scanning microscope of a light pattern with a single ultracold atom

Takafumi Tomita, Yuki Torii Chew, Rene Villela +6

Sub-micrometer scale light patterns play a pivotal role in various fields, including biology, biophysics, and AMO physics. High-resolution, in situ observation of light profiles is…

physics.chem-ph2024★ 6 cited

Double Configuration Interaction Singles: Scalable and size-intensive approach for orbital relaxation in excited states and bond-dissociation

Takashi Tsuchimochi

We present a novel theoretical scheme for orbital relaxation in configuration interaction singles (CIS) based on a perturbative treatment of its electronic Hessian, whose analytica…

cond-mat.str-el2024

Photo-induced phase transition on black samarium monosulfide

Hiroshi Watanabe, Yusuke Takeno, Yusuke Negoro +14

To investigate the role of the excitons for the origin of the pressure-induced phase transition (BGT) from the black-colored insulator (BI) to the golden-yellow-colored metal (GM)…

cond-mat.mes-hall2024★ 2 cited

Chirality-dependent spin polarization in metals: linear and quadratic responses

Kosuke Yoshimi, Yusuke Kato, Yuta Suzuki +6

We study spin polarization induced by locally injected electric currents in a metal whose spin--orbit coupling reflects its structural chirality. We reveal both spin polarization i…

physics.chem-ph2024★ 4 cited

Investigating the hyperparameter space of deep neural network models for reaction coordinates

Kyohei Kawashima, Takumi Sato, Kei-ichi Okazaki +3

Identifying reaction coordinates (RCs) is a key to understanding the mechanism of reactions in complex systems. Deep neural network (DNN) and machine learning approaches have becom…

physics.atom-ph2024★ 28 cited

Ultra-precise holographic optical tweezers array

Yuki Torii Chew, Martin Poitrinal, Takafumi Tomita +4

Neutral atoms trapped in microscopic optical tweezers have emerged as a growing platform for quantum science. Achieving homogeneity over the tweezers array is an important technica…

cond-mat.soft2024★ 10 cited

Unraveling the dynamic slowdown in supercooled water: The role of dynamic disorder in jump motions

Shinji Saito

When a liquid is rapidly cooled below its melting point without inducing crystallization, its dynamics slow down significantly without noticeable structural changes. Elucidating th…

cond-mat.mtrl-sci2024★ 26 cited

Emergence of chirality by multipole interconversion

Hiroaki Kusunose, Jun-ichiro Kishine, Hiroshi M. Yamamoto

A clear understanding of chirality in spin-active electronic states is discussed in order to address confusions about chiral effects recently discovered in materials science. Elect…

cond-mat.str-el2024★ 77 cited

Unified description of electronic orderings and cross correlations by complete multipole representation

Satoru Hayami, Hiroaki Kusunose

We overview recent developments of electronic orderings and associated cross correlations in condensed matter physics based on a complete set of multipole representations (electric…

cond-mat.mtrl-sci2024★ 33 cited

Quantification of chirality based on electric toroidal monopole

Akane Inda, Rikuto Oiwa, Satoru Hayami +2

Chirality ubiquitously appears in nature, however, its quantification remains obscure owing to the lack of microscopic description at the quantum-mechanical level. We propose a way…

cond-mat.stat-mech2024

Anisotropy-induced spin parity effects

Shuntaro Sumita, Akihiro Tanaka, Yusuke Kato

Spin parity effects refer to those special situations where a dichotomy in the physical behavior of a system arises, solely depending on whether the relevant spin quantum number is…

cond-mat.str-el2024★ 3 cited

Anisotropic Non-Fermi Liquid and Dynamical Planckian Scaling of a Quasi-Kagome Kondo Lattice System

Shin-ichi Kimura, Muhammad Frassetia Lubis, Hiroshi Watanabe +2

At the quantum critical point of correlated materials, a non-Fermi liquid state appears where electron correlations continuously develop to very low temperatures. The relaxation ti…

physics.chem-ph2024★ 5 cited

Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach

Kazushi Okada, Takuma Kikutsuji, Kei-ichi Okazaki +3

The present work shows that the free energy landscape associated with alanine dipeptide isomerization can be effectively represented by specific interatomic distances without expli…

cond-mat.mtrl-sci2024★ 68 cited

Chirality-Induced Selectivity of Phonon Angular Momenta in Chiral Quartz Crystals

Kazuki Ohe, Hiroaki Shishido, Masaki Kato +3

A generation, propagation, and transfer of phonon angular momenta are examined on thermal transport in chiral insulative and diamagnetic crystals of -quartz. We found that therm…

quant-ph2024★ 35 cited

Non-Hermitian Pseudomodes for Strongly Coupled Open Quantum Systems: Unravelings, Correlations and Thermodynamics

Paul Menczel, Ken Funo, Mauro Cirio +2

The pseudomode framework provides an exact description of the dynamics of an open quantum system coupled to a non-Markovian environment. Using this framework, the influence of the…