Search Results - "Sahu, Harikrishna"

Unraveling Correlations between Molecular Properties and Device Parameters of Organic Solar Cells Using Machine Learning by Sahu, Harikrishna, Ma, Haibo

“…Understanding the relationships between molecular properties and device parameters is highly desired not only to improve the overall performance of an organic…”
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Toward Predicting Efficiency of Organic Solar Cells via Machine Learning and Improved Descriptors by Sahu, Harikrishna, Rao, Weining, Troisi, Alessandro, Ma, Haibo

“…To design efficient materials for organic photovoltaics (OPVs), it is essential to identify the largest number of parameters that control their properties and…”
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polyG2G: A Novel Machine Learning Algorithm Applied to the Generative Design of Polymer Dielectrics by Gurnani, Rishi, Kamal, Deepak, Tran, Huan, Sahu, Harikrishna, Scharm, Kenny, Ashraf, Usman, Ramprasad, Rampi

“…Polymers, due to advantages such as low-cost processing, chemical stability, low density, and tunable design, have emerged as a powerhouse class of materials…”
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An Informatics Approach for Designing Conducting Polymers by Sahu, Harikrishna, Li, Hongmo, Chen, Lihua, Rajan, Arunkumar Chitteth, Kim, Chiho, Stingelin, Natalie, Ramprasad, Rampi

“…Doping conjugated polymers, which are potential candidates for the next generation of organic electronics, is an effective strategy for manipulating their…”
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Polymer Structure Predictor (PSP): A Python Toolkit for Predicting Atomic-Level Structural Models for a Range of Polymer Geometries by Sahu, Harikrishna, Shen, Kuan-Hsuan, Montoya, Joseph H, Tran, Huan, Ramprasad, Rampi

“…Three-dimensional atomic-level models of polymers are the starting points for physics-based simulation studies. A capability to generate reasonable initial…”
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Informatics-Driven Design of Superhard B–C–O Compounds by Mukherjee, Madhubanti, Sahu, Harikrishna, Losego, Mark D., Gutekunst, Will R., Ramprasad, Rampi

“…Materials containing B, C, and O, due to the advantages of forming strong covalent bonds, may lead to materials that are superhard, i.e., those with a Vicker’s…”
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Dielectric Polymers Tolerant to Electric Field and Temperature Extremes: Integration of Phenomenology, Informatics, and Experimental Validation by Wu, Chao, Chen, Lihua, Deshmukh, Ajinkya, Kamal, Deepak, Li, Zongze, Shetty, Pranav, Zhou, Jierui, Sahu, Harikrishna, Tran, Huan, Sotzing, Gregory, Ramprasad, Rampi, Cao, Yang

“…Flexible polymer dielectrics tolerant to electric field and temperature extremes are urgently needed for a spectrum of electrical and electronic applications…”
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polyG2G: A Novel Machine Learning Algorithm Applied to the Generative Design of Polymer Dielectrics by Gurnani, Rishi, Kamal, Deepak, Tran, Huan, Sahu, Harikrishna, Scharm, Kenny, Ashraf, Usman, Ramprasad, Rampi

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Computational Study on the Effect of Substituents on the Structural and Electronic Properties of Thiophene–Pyrrole-Based π‑Conjugated Oligomers by Sahu, Harikrishna, Panda, Aditya N

“…Theoretical calculations are carried out to study the effect of electron donating and withdrawing groups on the electronic structure and properties of a class…”
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Helical and Nonhelical Structures of Vinylene- and Azomethine-Linked Heterocyclic Oligomers: A Computational Study of Conformation-Dependent Optoelectronic Properties by Sahu, Harikrishna, Panda, Aditya N

“…A systematic computational investigation has been carried out at the density functional level of theory to characterize various conformational isomers of…”
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Interpretable machine learning for developing high-performance organic solar cells by Abbasi Jannat Abadi, Elyas, Sahu, Harikrishna, Javadpour, Seyed Morteza, Goharimanesh, Masoud

“…Rapidly screening the underlying relationships between organic photovoltaics (OPVs) and their chemical structures remains an open challenge due to their…”
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Alternating phenylene and furan/pyrrole/thiophene units-based oligomers: A computational study of the structures and optoelectronic properties by Sahu, Harikrishna, Shukla, Rishabh, Goswami, Juri, Gaur, Priyank, Panda, Aditya N.

“…Structures and optoelectronic properties of helical structures of phenylene-furan, phenylene-pyrrole and phenylene-thiophene oligomers are explored using…”
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Low-temperature 3D printing of transparent silica glass microstructures by Li, Mingzhe, Yue, Liang, Rajan, Arunkumar Chitteth, Yu, Luxia, Sahu, Harikrishna, Montgomery, S. Macrae, Ramprasad, Rampi, Qi, H. Jerry

“…Transparent silica glass is one of the most essential materials used in society and industry, owing to its exceptional optical, thermal, and chemical…”
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