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Y

Yukio Kawashima

riken

21H-index
126Paper Count
1.3KCitation Count
Published Papers 32
Publication Date
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Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale
errFuture Generation Computer Systems-The International Journal of eScience
IF6.1
err2026-07-29
err0
errOAAI
errTomonori Shirakawa; Javier Robledo-Moreno; Toshinari Itoko; Vinay Tripathi; Kento Ueda; Yukio Kawashima; Lukas Broers; William Kirby; Himadri Pathak; Hanhee Paik; Miwako Tsuji; Yuetsu Kodama; Mitsuhisa Sato; Constantinos Evangelinos; Seetharami Seelam; Robert Walkup; Seiji Yunoki; Mario Motta; Petar Jurcevic; Hiroshi Horii
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Dynamical mean field theory for real materials on a quantum computer
errnpj Computational Materials
IF11.9
err2025-10-31
err0
errOAAI
errJohannes Selisko; Maximilian Amsler; Christopher Wever; Yukio Kawashima; Georgy Samsonidze; Rukhsan Ul Haq; Francesco Tacchino; Ivano Tavernelli; Thomas Eckl
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Optimizing electronic structure simulations on a trapped-ion quantum computer using problem decomposition
errCOMMUNICATIONS PHYSICS
IF5.8
err2021-11-18
err30
errOAAI
errKawashima, Yukio; Lloyd, Erika; Coons, Marc P.; Nam, Yunseong; Matsuura, Shunji; Garza, Alejandro J.; Johri, Sonika; Huntington, Lee; Senicourt, Valentin; Maksymov, Andrii O.; Nguyen, Jason H. V.; Kim, Jungsang; Alidoust, Nima; Zaribafiyan, Arman; Yamazaki, Takeshi
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Scaling up electronic structure calculations on quantum computers: The frozen natural orbital based method of increments
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-16
err20
errOAAI
errVerma, Prakash; Huntington, Lee; Coons, Marc P.; Kawashima, Yukio; Yamazaki, Takeshi; Zaribafiyan, Arman
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Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-25
err10
PREAI
errKawashima, Y.; Ishimura, K.; Shiga, M.
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errSave
A Simple Model for Relative Energies of All Fullerenes Reveals the Interplay between Intrinsic Resonance and Structural Deformation Effects in Medium-Sized Fullerenes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-01-31
err17
PREAI
errChan, Bun; Kawashima, Yukio; Dawson, William; Katouda, Michio; Nakajima, Takahito; Hirao, Kimihiko
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A Path Integral Molecular Dynamics Study on Intermolecular Hydrogen Bond of Acetic Acid-Arsenic Acid Anion and Acetic Acid-Phosphoric Acid Anion Clusters
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-10-09
err4
errOAAI
errKawashima, Yukio; Sawada, Keisuke; Nakajima, Takahito; Tachikawa, Masanori
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The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-09-18
err6
errOAAI
errChan, Bun; Kawashima, Yukio; Hirao, Kimihiko
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Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-07-31
err11
errOAAI
errTanaka, Yuichi; Kawashima, Yukio; Yoshida, Norio; Nakano, Haruyuki
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Correlation functional in screened-exchange density functional theory procedures
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-07-18
err12
PREAI
errChan, Bun; Kawashima, Yukio; Hirao, Kimihiko
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errSave
Assessment of range-separated functionals in the presence of implicit solvent: Computation of oxidation energy, reduction energy, and orbital energy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-04-24
err16
PREAI
errBoruah, Abhijit; Borpuzari, Manash Protim; Kawashima, Yukio; Hirao, Kimihiko; Kar, Rahul
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errSave
Recommended Approaches to the Scientific Evaluation of Ecotoxicological Hazards and Risks of Endocrine-Active Substances
errINTEGRATED ENVIRONMENTAL ASSESSMENT AND MANAGEMENT
IF8.4
err2017-03-01
err33
errOAAI
errMatthiessen, Peter; Ankley, Gerald T.; Biever, Ronald C.; Bjerregaard, Poul; Borgert, Christopher; Brugger, Kristin; Blankinship, Amy; Chambers, Janice; Coady, Katherine K.; Constantine, Lisa; Dang, Zhichao; Denslow, Nancy D.; Dreier, David A.; Dungey, Steve; Gray, L. Earl; Gross, Melanie; Guiney, Patrick D.; Hecker, Markus; Holbech, Henrik; Iguchi, Taisen; Kadlec, Sarah; Karouna-Renier, Natalie K.; Katsiadaki, Ioanna; Kawashima, Yukio; Kloas, Werner; Krueger, Henry; Kumar, Anu; Lagadic, Laurent; Leopold, Annegaaike; Levine, Steven L.; Maack, Gerd; Marty, Sue; Meador, James; Mihaich, Ellen; Odum, Jenny; Ortego, Lisa; Parrott, Joanne; Pickford, Daniel; Roberts, Mike; Schaefers, Christoph; Schwarz, Tamar; Solomon, Keith; Verslycke, Tim; Weltje, Lennart; Wheeler, James R.; Williams, Mike; Wolf, Jeffrey C.; Yamazaki, Kunihiko
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Challenges in Assigning Endocrine-Specific Modes of Action: Recommendations for Researchers and Regulators
errINTEGRATED ENVIRONMENTAL ASSESSMENT AND MANAGEMENT
IF8.4
err2016-12-15
err32
errOAAI
errMihaich, Ellen M.; Schaefers, Christoph; Dreier, David A.; Hecker, Markus; Ortego, Lisa; Kawashima, Yukio; Dang, Zhi-Chao; Solomon, Keith
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Performance of the OP Correlation Functional in Relation to Its Formulation: Influence of the Exchange Component and the Effect of Incorporating Same-Spin Correlations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2016-03-01
err4
PREAI
errChan, Bun; Song, Jong-Won; Kawashima, Yukio; Hirao, Kimihiko
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From C60 to Infinity: Large-Scale Quantum Chemistry Calculations of the Heats of Formation of Higher Fullerenes
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2016-01-22
err40
PREAI
errChan, Bun; Kawashima, Yukio; Katouda, Michio; Nakajima, Takahito; Hirao, Kimihiko
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Toward the Complete Range Separation of Non-Hybrid Exchange-Correlation Functional
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-02-25
err7
PREAI
errChan, Bun; Song, Jong-Won; Kawashima, Yukio; Hirao, Kimihiko
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Accurate Prediction of Hyperfine Coupling Constants in Muoniated and Hydrogenated Ethyl Radicals: Ab Initio Path Integral Simulation Study with Density Functional Theory Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-04-23
err16
PREAI
errYamada, Kenta; Kawashima, Yukio; Tachikawa, Masanori
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Ab Initio Path Integral Molecular Dynamics Study of the Nuclear Quantum Effect on Out-of-Plane Ring Deformation of Hydrogen Maleate Anion
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-12-20
err18
PREAI
errKawashima, Yukio; Tachikawa, Masanori
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Nuclear Quantum Effect and Temperature Dependency on the Hydrogen-Bonded Structure of Base Pairs
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-08-05
err12
errOAAI
errDaido, Masashi; Kawashima, Yukio; Tachikawa, Masanori
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Theoretical and experimental study on the excited states of the X-, α- and β-forms of lithium phthalocyanine
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2012-06-01
err9
PREAI
errSumimoto, Michinori; Yokogawa, Daisuke; Kawashima, Yukio; Hori, Kenji; Fujimoto, Hitoshi
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Research Directions

No research directions
Co-authors
Cooperation Journals
N
Norihiro Sadato
H-index: 95 · Papers: 577
K
Keith R. Solomon
H-index: 92 · Papers: 550
G
Gerald T. Ankley
H-index: 91 · Papers: 541
K
Kimihiko Hirao
H-index: 81 · Papers: 735
Y
Yoshiharu Yonekura
H-index: 78 · Papers: 686
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