| 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 | 231 | 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 | 47 | 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 | 35 | 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 | 34 | 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 | 23 | 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 adsorbed on a molecule: Path-integral Monte Carlo calculations 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 adsorption on single layer graphene 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 He layer on -graphyne Y Kwon, H Shin, H Lee Physical Review B—Condensed Matter and Materials Physics 88 (20), 201403, 2013 | 8 | 2013 |