Heesoo Park
Heesoo Park
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Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ...
The Journal of chemical physics 131 (1), 2009
Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learning
H Park, R Mall, FH Alharbi, S Sanvito, N Tabet, H Bensmail, F El-Mellouhi
Physical Chemistry Chemical Physics 21 (3), 1078-1088, 2019
Machine learning accelerated recovery of the cubic structure in mixed-cation perovskite thin films
A Ali, H Park, R Mall, B Aïssa, S Sanvito, H Bensmail, A Belaidi, ...
Chemistry of Materials 32 (7), 2998-3006, 2020
Learn-and-Match Molecular Cations for Perovskites
H Park, R Mall, FH Alharbi, S Sanvito, N Tabet, H Bensmail, F El-Mellouhi
The Journal of Physical Chemistry A 123 (33), 7323-7334, 2019
Data-driven Enhancement of Cubic Phase Stability in Mixed-cation Perovskites
H Park, A Ali, R Mall, H Bensmail, S Sanvito, F El-Mellouh
Machine Learning: Science and Technology 2 (2), 025030, 2021
Ferromagnetic graphene nanoribbons: edge termination with organic radicals
D Cho, KC Ko, H Park, JY Lee
The Journal of Physical Chemistry C 119 (18), 10109-10115, 2015
Importance of structural deformation features in the prediction of hybrid perovskite bandgaps
H Park, R Mall, A Ali, S Sanvito, H Bensmail, F El-Mellouhi
Computational Materials Science 184, 109858, 2020
Theoretical investigation of the structural, elastic, electronic, and dielectric properties of alkali-metal-based bismuth ternary chalcogenides
S Kumar, A Akande, F El-Mellouhi, H Park, S Sanvito
Physical Review Materials 4 (7), 075401, 2020
Elucidating the Impact of Chalcogen Content on the Photovoltaic Properties of Oxychalcogenide Perovkskites: NaMO3−xQx (M=Nb, Ta; Q=S, Se, Te)
H Park, FH Alharbi, S Sanvito, N Tabet, F El‐Mellouhi
ChemPhysChem 19 (6), 703-714, 2018
Using Unstated Cases to Correct for COVID-19 Pandemic Outbreak and Its Impact on Easing the Intervention for Qatar
N Sallahi, H Park, F El-Mellouhi, M Rachdi, I Ouassou, S Belhaouari, ...
Biology 10 (6), 463, 2021
Searching for Photoactive Polymorphs of CsNbQ3 (Q = O, S, Se, Te) with Enhanced Optical Properties and Intrinsic Thermodynamic Stabilities
H Park, FH Alharbi, S Sanvito, N Tabet, F El-Mellouhi
The Journal of Physical Chemistry C 122 (16), 8814-8821, 2018
Benefits and Development Challenges for Conversion-Alloying Anode Materials in Na-Ion Batteries
A Skurtveit, A Brennhagen, H Park, C Cavallo, AY Koposov
Frontiers in Energy Research, 10:897755, 2022
Tuning of the Band Structures of Zigzag Graphene Nanoribbons by an Electric Field and Adsorption of Pyridine and BF3: A DFT Study
H Park, JY Lee, S Shin
J. Chem. Phys. C 116 (37), 20054-20061, 2012
How Fullerenes Inhibit the Amyloid Fibril Formation of Hen Lysozyme
OS Lee, VI Petrenko, K Siposova, A Musatov, H Park, S Lanceros-Mendez
Journal of Industrial and Engineering Chemistry 106, 168-176, 2022
Accelerating the Adoption of Research Data Management Strategies
JGD Medina, AW Ziaullah, H Park, IE Castelli, AB Shaon, H Bensmail, ...
Matter 5 (11), 3614-3642, 2022
The Rise of Nb-, Ta-, and Bi-based Oxides/Chalcogenides for Photocatalytic Applications
H Park, S Kumar R, A Akande, S Sanvito, F El-Mellouhi
International Journal of Hydrogen Energy 47 (5), 3358-3370, 2022
Design Principles of Large Cation Incorporation in Halide Perovskites
H Park, S Kumar, S Chawla, F El-Mellouhi
Molecules 26 (20), 6184, 2021
Accelerating the Design of Photocatalytic Surfaces for Antimicrobial Application: Machine Learning Based on a Sparse Dataset
H Park, ET Bentria, S Rtimi, A Arredouani, H Bensmail, F El-Mellouhi
Catalysts 11 (8), 1001, 2021
Oxychalcogenide Perovskite Solar Cells: A Multiscale Design Approach
H Park, AAB Baloch, ET Bentria, SN Rashkeev, FH Alharbi, F El-Mellouhi
Energy Technology 8 (4), 1900766, 2020
Computational Study on Removal of Epoxide from Narrow Zigzag Graphene Nanoribbons
H Park, JY Lee, S Shin
The Journal of Physical Chemistry C 118 (46), 27123-27130, 2014
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