引用次数
引用: 1,619
H-指数: 16
I10-指数 : 24
出版物: 88
Large-Scale Ab Initio Calculation of Ultrafast Dynamics in Thin-Film Dielectrics
Kazuhiro Yabana , Taisuke Boku , Yuta Hirokawa , Atsushi Yamada
The 22nd International Conference on Ultrafast Phenomena 2020 (2020), paper Tu4A.11
2020
Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory
Atsushi Yamada , Kazuhiro Yabana
European Physical Journal D 73 ( 5) 87
5
2019
Publisher’s Note: “A surface hopping method for chemical reaction dynamics in solution described by diabatic representation: An analysis of tunneling and thermal activation” [J. Chem. Phys. 124, 094110 (2006)]
Atsushi Yamada , Susumu Okazaki
The Journal of Chemical Physics 124 ( 24) 249902 -249902
2006
Multiscale time-dependent density functional theory for a unified description of ultrafast dynamics: Pulsed light, electron, and lattice motions in crystalline solids
Atsushi Yamada , Kazuhiro Yabana
Physical Review B 99 ( 24) 245103
16
2019
Evaluation of atomic pressure in the multiple time-step integration algorithm.
Yoshimichi Andoh , Noriyuki Yoshii , Atsushi Yamada , Susumu Okazaki
Journal of Computational Chemistry 38 ( 10) 704 -713
4
2017
Multiscale simulation of terahertz radiation process in benzimidazole crystal by impulsive stimulated Raman scattering.
Atsushi Yamada
Journal of Chemical Physics 153 ( 24) 244506
2020
Achieving Predictive Description of Molecular Conductance by Using a Range-Separated Hybrid Functional
Atsushi Yamada , Qingguo Feng , Austin Hoskins , Kevin D Fenk
Nano Letters 16 ( 10) 6092 -6098
11
2016
Deleterious Effects of Exact Exchange Functionals on Predictions of Molecular Conductance.
Qingguo Feng , Atsushi Yamada , Roi Baer , Barry D. Dunietz
Journal of Chemical Theory and Computation 12 ( 8) 3431 -3435
10
2016
MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program for Large-Scale Systems with Long-Range Forces Calculated by Fast Multipole Method (FMM) and Highly Scalable Fine-Grained New Parallel Processing Algorithms
Yoshimichi Andoh , Noriyuki Yoshii , Kazushi Fujimoto , Keisuke Mizutani
Journal of Chemical Theory and Computation 9 ( 7) 3201 -3209
121
2013
Spectral dependence of plasmon-enhanced fluorescence in a hollow nanotriangle assembled by DNA origami: towards plasmon assisted energy transfer
Petra Ivaskovic , Atsushi Yamada , Juan Elezgaray , David Talaga
Nanoscale 10 ( 35) 16568 -16573
1
2018
Torsion Potential Works in Rhodopsin
Atsushi Yamada , Takahisa Yamato , Toshiaki Kakitani , Shigeyoshi Yamamoto
Photochemistry and Photobiology 79 ( 5) 476 -486
10
2004
Modification of Molecular Conductance by in Situ Deprotection of Thiol-Based Porphyrin
Qi Zhou , Atsushi Yamada , Qingguo Feng , Austin Hoskins
ACS Applied Materials & Interfaces 9 ( 19) 15901 -15906
11
2017
Multiscale coupled Maxwell’s equations and polarizable molecular dynamics simulation based on charge response kernel model
Atsushi Yamada
Journal of Chemical Physics 152 ( 9) 094110 -094110
6
2020
First-principles electron dynamics simulation study of high intensity laser irradiation on crystal systems: Photon energy dependent energy transfer
Atsushi Yamada , Kazuhiro Yabana
Epj Web of Conferences 205 04020
2019
Conductance of Junctions with Acetyl-Functionalized Thiols: A First-Principles-Based Analysis
Atsushi Yamada , Qingguo Feng , Qi Zhou , Austin Hoskins
Journal of Physical Chemistry C 121 ( 19) 10298 -10304
5
2017
G-Protein/β-Arrestin-Linked Fluctuating Network of G-Protein-Coupled Receptors for Predicting Drug Efficacy and Bias Using Short-Term Molecular Dynamics Simulation
Osamu Ichikawa , Kazushi Fujimoto , Atsushi Yamada , Susumu Okazaki
PLOS ONE 11 ( 5) e0155816
6
2016
Role of protein in the primary step of the photoreaction of yellow protein.
Atsushi Yamada , Takakazu Ishikura , Takahisa Yamato
Proteins 55 ( 4) 1063 -1069
34
2004
Direct measure of functional importance visualized atom-by-atom for photoactive yellow protein: application to photoisomerization reaction.
Atsushi Yamada , Takakazu Ishikura , Takahisa Yamato
Proteins 55 ( 4) 1070 -1077
14
2004
Nonlinear Shift in Phonon-Polariton Dispersion on a SiC Surface
Shuta Kitade , Atsushi Yamada , Ikki Morichika , Kazuhiro Yabana
ACS Photonics 8 ( 1) 152 -157
1
2021
Defect Mode Passband Lasing in Self-Assembled Photonic Crystal
Kuo Zhong , Liwang Liu , Xiaodong Xu , Michael Hillen
ACS Photonics 3 ( 12) 2330 -2337
29
2016