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H

Hyeondeok Shin

argonne national laboratory

H指数:14

被引数:579

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Broadening Hard-Magnet Discovery Beyond Symmetry Constraints via Unified Effective Anisotropy

通过统一有效各向异性拓宽超越对称性约束的硬磁发现

Advanced Science

IF14.1

2026-09-090

OAAI

Quantum Monte Carlo Benchmarking of Molecular Adsorption on Graphene-Supported Single Pt Atom

基于石墨烯支撑的单个铂原子的分子吸附的量子蒙特卡罗基准测试

The Journal of Physical Chemistry C

IF3.2

2025-12-100

PRE

Stacking polymorphism of PtSe2: its implication to layer-dependent metal-insulator transitions

PtSe2的堆叠多态性：其对层依赖性金属-绝缘体相变的启示

NPJ 2D MATERIALS AND APPLICATIONS

IF8.8

2025-04-300

OA

Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-08-300

OA

Structural Stability of Graphene-Supported Pt Layers: Diffusion Monte Carlo and Density Functional Theory Calculations

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-09-061

OA

Layer-dependent optically induced spin polarization in InSe

PHYSICAL REVIEW B

IF3.7

2023-03-154

OA

Hydrogen separation with a graphenylene monolayer: Diffusion Monte Carlo study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-10-114

OA

Assessing the accuracy of compound formation energies with quantum Monte Carlo

用量子蒙特卡罗评估化合物形成能的准确性

PHYSICAL REVIEW B

IF3.7

2022-06-211

OA

The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-04-134

OA

Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo

IF4.3

2021-09-1612

OAAI

Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods

PHYSICAL REVIEW MATERIALS

IF3.4

2021-02-1022

OAAI

Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-11-1917

OAAI

Energetic Stability of Free-standing and Metal-Supported Borophenes: Quantum Monte Carlo and Density Functional Theory Calculations

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-10-278

PREAI

Doped NiO: The mottness of a charge transfer insulator

PHYSICAL REVIEW B

IF3.7

2020-05-1518

OAAI

Local structure of potassium doped nickel oxide: A combined experimental-theoretical study

PHYSICAL REVIEW MATERIALS

IF3.4

2019-11-1810

PREAI

Diffusion Monte Carlo study of O2 adsorption on single layer graphene

PHYSICAL REVIEW B

IF3.7

2019-08-2310

OAAI

Phase stability and interlayer interaction of blue phosphorene

PHYSICAL REVIEW B

IF3.7

2018-08-2323

OAAI

Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo

PHYSICAL REVIEW MATERIALS

IF3.4

2018-07-1131

OAAI

Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-06-286

OAAI

Electronic properties of doped and defective NiO: A quantum Monte Carlo study

PHYSICAL REVIEW MATERIALS

IF3.4

2017-12-2841

OAAI