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Dr. Harikrishna Sahu
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Year
Toward predicting efficiency of organic solar cells via machine learning and improved descriptors
H Sahu, W Rao, A Troisi, H Ma
Advanced Energy Materials 8 (24), 1801032, 2018
1772018
Designing promising molecules for organic solar cells via machine learning assisted virtual screening
H Sahu, F Yang, X Ye, J Ma, W Fang, H Ma
Journal of Materials Chemistry A 7 (29), 17480-17488, 2019
932019
Unraveling correlations between molecular properties and device parameters of organic solar cells using machine learning
H Sahu, H Ma
The journal of physical chemistry letters 10 (22), 7277-7284, 2019
752019
Computational investigation of charge injection and transport properties of a series of thiophene–pyrrole based oligo-azomethines
H Sahu, AN Panda
Physical Chemistry Chemical Physics 16 (18), 8563-8574, 2014
692014
Computational study on the effect of substituents on the structural and electronic properties of thiophene–pyrrole-based π-conjugated oligomers
H Sahu, AN Panda
Macromolecules 46 (3), 844-855, 2013
422013
PolyG2G: A novel machine learning algorithm applied to the generative design of polymer dielectrics
R Gurnani, D Kamal, H Tran, H Sahu, K Scharm, U Ashraf, R Ramprasad
Chemistry of Materials 33 (17), 7008-7016, 2021
292021
Structure and optoelectronic properties of helical pyridine–furan, pyridine–pyrrole and pyridine–thiophene oligomers
H Sahu, S Gupta, P Gaur, AN Panda
Phys. Chem. Chem. Phys. 17, 20647, 2015
242015
Dielectric polymers tolerant to electric field and temperature extremes: Integration of phenomenology, informatics, and experimental validation
C Wu, L Chen, A Deshmukh, D Kamal, Z Li, P Shetty, J Zhou, H Sahu, ...
ACS Applied Materials & Interfaces 13 (45), 53416-53424, 2021
212021
Polymer Structure Predictor (PSP): A Python Toolkit for Predicting Atomic-Level Structural Models for a Range of Polymer Geometries
H Sahu, KH Shen, JH Montoya, H Tran, R Ramprasad
J. Chem. Theory Comput., 2022
132022
An informatics approach for designing conducting polymers
H Sahu, H Li, L Chen, AC Rajan, C Kim, N Stingelin, R Ramprasad
ACS Applied Materials & Interfaces 13 (45), 53314-53322, 2021
132021
Interpretable Machine Learning for developing high-performance Organic Solar Cells
EAJ Abadi, H Sahu, SM Javadpour, M Goharimanesh
Materials Today Energy, 100969, 2022
102022
Helical and Nonhelical Structures of Vinylene-and Azomethine-Linked Heterocyclic Oligomers: A Computational Study of Conformation-Dependent Optoelectronic Properties
H Sahu, AN Panda
The Journal of Physical Chemistry C 119 (40), 22855-22865, 2015
92015
Low-temperature 3D printing of transparent silica glass microstructures
M Li, L Yue, AC Rajan, L Yu, H Sahu, SM Montgomery, R Ramprasad, ...
Sci. Adv. 9, eadi2958, 2023
82023
Alternating phenylene and furan/pyrrole/thiophene units-based oligomers: A computational study of the structures and optoelectronic properties
H Sahu, R Shukla, J Goswami, P Gaur, AN Panda
Chemical Physics Letters 692, 152-159, 2018
52018
Informatics-Driven Design of Superhard B–C–O Compounds
M Mukherjee, H Sahu, MD Losego, WR Gutekunst, R Ramprasad
ACS Applied Materials & Interfaces, 2024
2024
Design of Metals and Alloys with High Spall Strengths
K Frawley, H Sahu, R Ramprasad, N Thadhani
Bulletin of the American Physical Society 68, 2023
2023
Predicting Velocimetry Curves from Photonic Doppler Velocimetry (PDV) Signals using Neural Networks
K Frawley, H Sahu, N Thadhani, R Ramprasad
APS Shock Compression of Condensed Matter Meeting Abstracts, G00. 020, 2022
2022
An Autonomous Computational Workflow for Efficient Generation of Polymer Data
H Tran, H Sahu, BG Del Rio, D Kamal, C Kim, R Ramprasad
2020 Virtual AIChE Annual Meeting, 2020
2020
In silico investigation of optical and electronic properties of heterocyclic conjugated polymers
H Sahu
Guwahati, 2016
2016
Surfactant mediated synthesis and characterization of Boehmite nanowires
H Sahu
2011
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Articles 1–20