QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ...
Journal of Physics: Condensed Matter 30 (19), 195901, 2018
329 2018 Cohesion energetics of carbon allotropes: Quantum Monte Carlo study H Shin, S Kang, J Koo, H Lee, J Kim, Y Kwon
The Journal of chemical physics 140 (11), 2014
230 2014 Giant anisotropy of Gilbert damping in epitaxial CoFe films Y Li, F Zeng, SSL Zhang, H Shin, H Saglam, V Karakas, O Ozatay, ...
Physical review letters 122 (11), 117203, 2019
101 2019 Electronic properties of doped and defective NiO: A quantum Monte Carlo study H Shin, Y Luo, P Ganesh, J Balachandran, JT Krogel, PRC Kent, A Benali, ...
Physical Review Materials 1 (7), 073603, 2017
48 2017 Nature of Interlayer Binding and Stacking of sp–sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study H Shin, J Kim, H Lee, O Heinonen, A Benali, Y Kwon
Journal of chemical theory and computation 13 (11), 5639-5646, 2017
34 2017 Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo H Shin, A Benali, Y Luo, E Crabb, A Lopez-Bezanilla, LE Ratcliff, ...
Physical Review Materials 2 (7), 075001, 2018
33 2018 Commensurate-incommensurate transition of 4He adsorbed on a single C60 molecule H Shin, Y Kwon
The Journal of Chemical Physics 136 (6), 2012
33 2012 Phase stability and interlayer interaction of blue phosphorene J Ahn, I Hong, Y Kwon, RC Clay, L Shulenburger, H Shin, A Benali
Physical Review B 98 (8), 085429, 2018
27 2018 Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods H Shin, JT Krogel, K Gasperich, PRC Kent, A Benali, O Heinonen
Physical Review Materials 5 (2), 024002, 2021
22 2021 Doped NiO: The mottness of a charge transfer insulator F Wrobel, H Park, C Sohn, HW Hsiao, JM Zuo, H Shin, HN Lee, P Ganesh, ...
Physical Review B 101 (19), 195128, 2020
22 2020 Superfluidity and structural order in Y Kwon, H Shin
Physical Review B—Condensed Matter and Materials Physics 82 (17), 172506, 2010
21 2010 Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set A Benali, H Shin, O Heinonen
The Journal of Chemical Physics 153 (19), 2020
18 2020 Importance of van der Waals interactions in hydrogen adsorption on a silicon-carbide nanotube revisited with vdW-DFT and quantum Monte Carlo GI Prayogo, H Shin, A Benali, R Maezono, K Hongo
ACS omega 6 (38), 24630-24636, 2021
17 2021 Competition between Hückel’s Rule and Jahn–Teller Distortion in Small Carbon Rings: A Quantum Monte Carlo Study I Hong, J Ahn, H Shin, H Bae, H Lee, A Benali, Y Kwon
The Journal of Physical Chemistry A 124 (18), 3636-3640, 2020
17 2020 Local structure of potassium doped nickel oxide: A combined experimental-theoretical study F Wrobel, H Shin, GE Sterbinsky, HW Hsiao, JM Zuo, P Ganesh, JT Krogel, ...
Physical Review Materials 3 (11), 115003, 2019
13 2019 Diffusion Monte Carlo study of H Shin, Y Luo, A Benali, Y Kwon
Physical Review B 100 (7), 075430, 2019
13 2019 Energetic stability of free-standing and metal-supported borophenes: Quantum monte carlo and density functional theory calculations J Ahn, I Hong, G Lee, H Shin, A Benali, Y Kwon
The Journal of Physical Chemistry C 124 (44), 24420-24428, 2020
11 2020 Metastable metallic phase of a bilayer blue phosphorene induced by interlayer bonding and intralayer charge redistributions J Ahn, I Hong, G Lee, H Shin, A Benali, Y Kwon
The Journal of Physical Chemistry Letters 12 (45), 10981-10986, 2021
8 2021 Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes A Benali, Y Luo, H Shin, D Pahls, O Heinonen
The Journal of Physical Chemistry C 122 (29), 16683-16691, 2018
8 2018 Mott-insulator to commensurate-solid transition in a Y Kwon, H Shin, H Lee
Physical Review B—Condensed Matter and Materials Physics 88 (20), 201403, 2013
8 2013