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H

Hyeondeok Shin

Argonne National Laboratory

14H-index
81Paper Count
579Citation Count
Published Papers 25
Publication Date
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Quantum Monte Carlo Benchmarking of Molecular Adsorption on Graphene-Supported Single Pt Atom
errThe Journal of Physical Chemistry C
IF3.2
err2025-12-10
err0
PREAI
errJeonghwan Ahn; Iuegyun Hong; Gwangyoung Lee; Hyeondeok Shin; Anouar Benali; Yongkyung Kwon
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Stacking polymorphism of PtSe2: its implication to layer-dependent metal-insulator transitions
errNPJ 2D MATERIALS AND APPLICATIONS
IF8.8
err2025-04-30
err0
errOAAI
errAhn, Jeonghwan; Hong, Iuegyun; Lee, Gwangyoung; Shin, Hyeondeok; Benali, Anouar; Kwon, Yongkyung
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Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-30
err0
errOAAI
errShin, Hyeondeok; Gasperich, Kevin; Rojas, Tomas; Ngo, Anh T.; Krogel, Jaron T.; Benali, Anouar
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Structural Stability of Graphene-Supported Pt Layers: Diffusion Monte Carlo and Density Functional Theory Calculations
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-09-06
err1
errOAAI
errAhn, Jeonghwan; Hong, Iuegyun; Lee, Gwangyoung; Shin, Hyeondeok; Benali, Anouar; Krogel, Jaron T.; Kwon, Yongkyung
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Layer-dependent optically induced spin polarization in InSe
errPHYSICAL REVIEW B
IF3.7
err2023-03-15
err4
errOAAI
errNelson, Jovan; Stanev, Teodor K.; Lebedev, Dmitry; LaMountain, Trevor; Gish, J. Tyler; Zeng, Hongfei; Shin, Hyeondeok; Heinonen, Olle; Watanabe, Kenji; Taniguchi, Takashi; Hersam, Mark C.; Stern, Nathaniel P.
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Hydrogen separation with a graphenylene monolayer: Diffusion Monte Carlo study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-11
err4
errOAAI
errLee, Gwangyoung; Hong, Iuegyun; Ahn, Jeonghwan; Shin, Hyeondeok; Benali, Anouar; Kwon, Yongkyung
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Assessing the accuracy of compound formation energies with quantum Monte Carlo
errPHYSICAL REVIEW B
IF3.7
err2022-06-21
err1
errOAAI
errIsaacs, Eric B.; Shin, Hyeondeok; Annaberdiyev, Abdulgani; Wolverton, Chris; Mitas, Lubos; Benali, Anouar; Heinonen, Olle
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The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-13
err4
errOAAI
errDumi, Amanda; Upadhyay, Shiv; Bernasconi, Leonardo; Shin, Hyeondeok; Benali, Anouar; Jordan, Kenneth D.
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Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo
errACS OMEGA
IF4.3
err2021-09-16
err12
errOAAI
errPrayogo, Genki, I; Shin, Hyeondeok; Benali, Anouar; Maezono, Ryo; Hongo, Kenta
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Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods
errPHYSICAL REVIEW MATERIALS
IF3.4
err2021-02-10
err22
errOAAI
errShin, Hyeondeok; Krogel, Jaron T.; Gasperich, Kevin; Kent, Paul R. C.; Benali, Anouar; Heinonen, Olle
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errSave
Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-11-19
err17
errOAAI
errBenali, Anouar; Shin, Hyeondeok; Heinonen, Olle
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errSave
Energetic Stability of Free-standing and Metal-Supported Borophenes: Quantum Monte Carlo and Density Functional Theory Calculations
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-10-27
err8
PREAI
errAhn, Jeonghwan; Hong, Iuegyun; Lee, Gwangyoung; Shin, Hyeondeok; Benali, Anouar; Kwon, Yongkyung
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errSave
Doped NiO: The mottness of a charge transfer insulator
errPHYSICAL REVIEW B
IF3.7
err2020-05-15
err18
errOAAI
errWrobel, Friederike; Park, Hyowon; Sohn, Changhee; Hsiao, Haw-Wen; Zuo, Jian-Min; Shin, Hyeondeok; Lee, Ho Nyung; Ganesh, P.; Benali, Anouar; Kent, Paul R. C.; Heinonen, Olle; Bhattacharya, Anand
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Local structure of potassium doped nickel oxide: A combined experimental-theoretical study
errPHYSICAL REVIEW MATERIALS
IF3.4
err2019-11-18
err10
PREAI
errWrobel, Friederike; Shin, Hyeondeok; Sterbinsky, George E.; Hsiao, Haw-Wen; Zuo, Jian-Min; Ganesh, P.; Krogel, Jaron T.; Benali, Anouar; Kent, Paul R. C.; Heinonen, Olle; Bhattacharya, Anand
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errSave
Diffusion Monte Carlo study of O2 adsorption on single layer graphene
errPHYSICAL REVIEW B
IF3.7
err2019-08-23
err10
errOAAI
errShin, Hyeondeok; Luo, Ye; Benali, Anouar; Kwon, Yongkyung
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errSave
Phase stability and interlayer interaction of blue phosphorene
errPHYSICAL REVIEW B
IF3.7
err2018-08-23
err23
errOAAI
errAhn, Jeonghwan; Hong, Iuegyun; Kwon, Yongkyung; Clay, Raymond C.; Shulenburger, Luke; Shin, Hyeondeok; Benali, Anouar
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Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo
errPHYSICAL REVIEW MATERIALS
IF3.4
err2018-07-11
err31
errOAAI
errShin, Hyeondeok; Benali, Anouar; Luo, Ye; Crabb, Emily; Lopez-Bezanilla, Alejandro; Ratcliff, Laura E.; Jokisaari, Andrea M.; Heinonen, Olle
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Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-06-28
err6
errOAAI
errBenali, Anouar; Luo, Ye; Shin, Hyeondeok; Pahls, Dale; Heinonen, Olle
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errSave
Electronic properties of doped and defective NiO: A quantum Monte Carlo study
errPHYSICAL REVIEW MATERIALS
IF3.4
err2017-12-28
err41
errOAAI
errShin, Hyeondeok; Luo, Ye; Ganesh, Panchapakesan; Balachandran, Janakiraman; Krogel, Jaron T.; Kent, Paul R. C.; Benali, Anouar; Heinonen, Olle
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Nature of Interlayer Binding and Stacking of sp-sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-10-09
err30
errOAAI
errShin, Hyeondeok; Kim, Jeongnim; Lee, Hoonkyung; Heinonen, Olle; Benali, Anouar; Kwon, Yongkyung
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Research Directions

No research directions
Co-authors
Cooperation Journals
T
Takashi Taniguchi
H-index: 198 · Papers: 5.5K
M
Mark C. Hersam
H-index: 123 · Papers: 976
C
Chris Wolverton
H-index: 111 · Papers: 1.2K
K
Kenneth D. Jordan
H-index: 79 · Papers: 511
J
Jian‐Min Zuo
H-index: 71 · Papers: 772
View more