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Atsushi Yamada

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
2021 · Evgeny Epifanovsky, Andrew T. B. Gilbert, et al. · The Journal of Chemical Physics · 1,390
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SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience
2018 · Masashi Noda, Shunsuke A. Sato, et al. · Computer Physics Communications · 177
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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
2013 · Yoshimichi Andoh, Noriyuki Yoshii, et al. · Journal of Chemical Theory and Computation · 98
All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution
2014 · Y. Andoh, N. Yoshii, et al. · The Journal of Chemical Physics · 81
Multiscale time-dependent density functional theory for a unified description of ultrafast dynamics: Pulsed light, electron, and lattice motions in crystalline solids
2019 · Atsushi Yamada, Kazuhiro Yabana · Physical review. B./Physical review. B · 54
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Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory
2019 · Atsushi Yamada, Kazuhiro Yabana · The European Physical Journal D · 47
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Role of protein in the primary step of the photoreaction of yellow protein
2004 · Atsushi Yamada, Takakazu Ishikura, et al. · Proteins Structure Function and Bioinformatics · 37
Defect Mode Passband Lasing in Self-Assembled Photonic Crystal
2016 · Kuo Zhong, Liwang Liu, et al. · ACS Photonics · 35
Intersystem Crossing in Tetrapyrrolic Macrocycles. A First-Principles Analysis
2021 · Srijana Bhandari, Sunandan Sarkar, et al. · The Journal of Physical Chemistry C · 32
On the Role of the Special Pair in Photosystems as a Charge Transfer Rectifier
2020 · Huseyin Aksu, Alexander Schubert, et al. · The Journal of Physical Chemistry B · 31
High-order harmonic generation in semiconductors driven at near- and mid-infrared wavelengths
2022 · David Freeman, Anatoli Kheifets, et al. · Physical review. B./Physical review. B · 29
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Ab initio MO study on potential energy surfaces for twisting around C7C8 and C4–C7 bonds of coumaric acid
2001 · A Yamada, S Yamamoto, et al. · Journal of Molecular Structure THEOCHEM · 26
Modification of Molecular Conductance by in Situ Deprotection of Thiol-Based Porphyrin
2017 · Qi Zhou, Atsushi Yamada, et al. · ACS Applied Materials & Interfaces · 25
Achieving Predictive Description of Molecular Conductance by Using a Range-Separated Hybrid Functional
2016 · Atsushi Yamada, Qingguo Feng, et al. · Nano Letters · 25
A computational study on the stability of the protonated Schiff base of retinal in rhodopsin
2002 · A Yamada, T Kakitani, et al. · Chemical Physics Letters · 24
Valley polarization control in WSe 2 monolayer by a single-cycle laser pulse
2022 · Arqum Hashmi, Shunsuke Yamada, et al. · Physical review. B./Physical review. B · 22
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Conductance of Junctions with Acetyl-Functionalized Thiols: A First-Principles-Based Analysis
2017 · Atsushi Yamada, Qingguo Feng, et al. · The Journal of Physical Chemistry C · 16
Direct measure of functional importance visualized atom‐by‐atom for photoactive yellow protein: Application to photoisomerization reaction
2004 · Atsushi Yamada, Takakazu Ishikura, et al. · Proteins Structure Function and Bioinformatics · 16
Electron dynamics in α -quartz induced by two-color 10-femtosecond laser pulses
2022 · Guillaume Duchateau, Atsushi Yamada, et al. · Physical review. B./Physical review. B · 15
Color Tuning Mechanism of Human Red and Green Visual Pigments
1999 · Toshiaki Kakitani, Yoshitaka Beppu, et al. · Photochemistry and Photobiology · 15
Interaction of intense ultrashort laser pulses with solid targets: A systematic analysis using first-principles calculations
2024 · Atsushi Yamada, Kazuhiro Yabana · Physical review. B./Physical review. B · 14
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A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water
2014 · Atsushi Yamada, Hidekazu Kojima, et al. · The Journal of Chemical Physics · 14
Large-scale ab initio simulation of light–matter interaction at the atomic scale in Fugaku
2022 · Yuta Hirokawa, Atsushi Yamada, et al. · The International Journal of High Performance Computing Applications · 13
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Deleterious Effects of Exact Exchange Functionals on Predictions of Molecular Conductance
2016 · Qingguo Feng, Atsushi Yamada, et al. · Journal of Chemical Theory and Computation · 13
Torsion Potential Works in Rhodopsin¶
2004 · Atsushi Yamada, Takahisa Yamato, et al. · Photochemistry and Photobiology · 13
Works count: 106
Citation count: 2,427
H-index: 16
I10-index: 31
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