• Research Scientist II, Georgia Tech, USA. (May 2023 - present)
• Postdoc, Georgia Tech, USA. (Sep 2019 - May 2023)
• Postdoc, Nanjing University, China. (2017-2019)
• Ph.D., Indian Institute of Technology Guwahati, Assam. (2011-2016)
• Masters of Science, National Institute of Technology Rourkela, Odisha (2009-2011)
• Bachelor of Science, Maharaja Purna Chandra Autonomous College, Odisha (2006-2009)

Publications

1. Mingzhe Li, Liang Yue, Arunkumar Chitteth Rajan, Luxia Yu, Harikrishna Sahu, S. Macrae Montgomery, Rampi Ramprasad, H. Jerry Qi^*, Low-temperature 3D printing of transparent silica glass microstructures, Sci. Adv., 2023, 9, eadi2958.
2. Harikrishna Sahu, Kuan-Hsuan Shen, Joseph H. Montoya, Huan Tran and Rampi Ramprasad^*, Polymer Structure Predictor (PSP): A python toolkit for predicting atomic-level structural models for a range of polymer geometries, J. Chem. Theory Comput., 2022, 18, 2737.
3. Elyas Abbasi Jannat Abadi, Harikrishna Sahu, Seyed Morteza Javadpour, Masoud Goharimanesh^*, Interpretable Machine Learning for developing high-performance Organic Solar Cells, Mater. Today Energy, 2022, 100969.
4. Rishi Gurnani, Deepak Kamal, Huan Tran, Harikrishna Sahu, Kenny Scharm, Usman Ashraf, Rampi Ramprasad^*, polyG2G: A Novel Machine Learning Algorithm Applied to the Generative Design of Polymer Dielectrics, Chem. Mater., 2021, 33, 7008.
5. Chao Wu, Lihua Chen, Ajinkya Deshmukh, Deepak Kamal, Zongze Li, Pranav Shetty, Jierui Zhou, Harikrishna Sahu, Huan Tran, Gregory Sotzing, Rampi Ramprasad and Yang Cao^*, Dielectric polymers tolerant to electric field and temperature extremes: Integration of phenomenology, informatics and experimental validation, ACS Appl. Mater. Interfaces, 2021, 13, 53416.
6. Harikrishna Sahu, Hongmo Li, Lihua Chen, Arunkumar Chitteth Rajan, Chiho Kim, Natalie Stingelin and Rampi Ramprasad^*, An informatics approach for designing conducting polymers, ACS Appl. Mater. Interfaces, 2021, 13, 53314.
7. Harikrishna Sahu^* and Haibo Ma^*, Unraveling correlations between molecular properties and device parameters of organic solar cells using machine learning, J. Phys. Chem. Lett., 2019, 10, 7277. (Communication)[Selected for the Virtual Special Issue of Machine Learning in Physical Chemistry]
8. Harikrishna Sahu, Feng Yang, Xiaobo Ye, Jing Ma, Weihai Fang and Haibo Ma^*, Designing promising molecules for organic solar cells via machine learning assisted virtual screening, J. Mater. Chem. A, 2019, 7, 17480. [Editor's Choice: Machine Learning for Materials Innovation]
9. Harikrishna Sahu, Weining Rao, Alessandro Troisi and Haibo Ma^*, Toward predicting efficiency of organic solar cells via machine learning and improved descriptors, Adv. Energy Mater., 2018, 8, 1801032.
10. Harikrishna Sahu, Rishabh Shukla, Juri Goswami, Priyank Gaur and Aditya N. Panda^*, Alternating phenylene and furan/pyrrole/thiophene units-based oligomers: A computational study of the structures and optoelectronic properties, Chem. Phys. Lett., 2018, 692, 152.
11. Harikrishna Sahu and Aditya N. Panda^*, Helical and nonhelical structures of vinylene- and azomethine-linked heterocyclic oligomers: A computational study of conformation-dependent optoelectronic properties, J. Phys. Chem. C, 2015, 119, 22855.
12. Harikrishna Sahu, Shashwat Gupta, Priyank Gaur and Aditya N. Panda^*, Structure and optoelectronic properties of helical pyridine-furan, pyridine-pyrrole and pyridine-thiophene oligomers, Phys. Chem. Chem. Phys., 2015, 17, 20647.
13. Harikrishna Sahu and Aditya N. Panda^*, Computational investigation of charge injection and transport properties of a series of thiophene-pyrrole based oligo-azomethines, Phys. Chem. Chem. Phys., 2014, 16, 8563.
14. Harikrishna Sahu and Aditya N. Panda^*, Computational study on the effect of substituents on the structural and electronic properties of thiophene-pyrrole-Based π-conjugated oligomers, Macromolecules, 2013, 46, 844.

Awards and Fellowships

1. Received the first prize at the AMDD hackathon organized by Toyota Research Institute, May 26-29, 2020. Demonstrated how more cheap experiments can be more valuable than fewer expensive ones.
2. Selected for Special international postdoc grant by Nanjing university, Mar. 2017 - Feb. 2019.
3. Qualified National eligibility test (NET), 2011 in the subject of Chemical Sciences under UGC fellowship scheme - secured 0088/1065 rank.
4. Qualified Graduate aptitude test in engineering (GATE), 2011 in the subject of Chemistry - All India rank - 1010.

Workshops/Schools

1. Responsible Conduct of Research (RCR) training, Hosted by Georgia Tech, Atlanta, USA, October 23 - 24, 2019.
2. Machine Learning in the Molecular Science, Hosted by NYU-ECNU, Shanghai, China, June 12 - 16, 2017.
3. National Workshop on Molecular Modeling and Simulation of Sustainable Polymers and Nanocomposites (MSSP), Hosted by Department of Chemical Engineering, IIT Guwahati, India, August 4 - 8, 2014.
4. DST-SERB Winter School on Modeling Chemical and Biological (Re)activity (MCBR) , Hosted by International Institute of Information Technology, Hyderabad, India, January 2 - 22, 2014.

Oral Presentations

1. Harikrishna Sahu, Huan Tran, Kuan-Hsuan Shen, Joseph Montoya and Rampi Ramprasad^*, PSP: A toolkit for efficient generation of 3D atomic-level polymer models, MRS Fall, hosted by Materials Research Society, USA, Dec. 6-8, 2021.
2. Harikrishna Sahu, Huan Tran, Kuan-Hsuan Shen, Joseph Montoya and Rampi Ramprasad^*, PSP: A toolkit for efficient generation of 3D atomic-level polymer models, ACS Fall, hosted by American Chemical Society, USA, Aug. 22-26, 2021.
3. Harikrishna Sahu, Feng Yang, Xiaobo Ye, Jing Ma, Weihai Fang, and Haibo Ma^*, Designing promising molecules for organic solar cells via machine learning assisted virtual screening, The 6th Asian Materials Data Symposium (AMDS 2019), hosted by Materials Genome Institute, Shanghai University, China, Apr. 15-18, 2019.
4. Harikrishna Sahu and Aditya N. Panda^*, Linear and folding conformers of vinylene-, azomethine-, and azo-linked heterocyclic oligomers: Stabilities and optoelectronic properties, Research Conclave, hosted by Indian Institute of Technology Guwahati, Assam, Mar. 23-26, 2015.

Poster Presentations

1. Harikrishna Sahu, Huan Tran, Kuan-Hsuan Shen, Joseph Montoya and Rampi Ramprasad^*, PSP: A toolkit for efficient generation of 3D atomic-level polymer models, Advanced Research Computing (ARC) Symposium, hosted by Georgia Institute of Technology, USA, Nov. 17, 2021.
2. Harikrishna Sahu, Huan Tran, Kuan-Hsuan Shen, Joseph Montoya and Rampi Ramprasad^*, PSP: A toolkit for efficient generation of 3D atomic-level polymer models, ACS Fall, hosted by American Chemical Society, USA, Aug. 22-26, 2021.
3. Harikrishna Sahu, Feng Yang, Xiaobo Ye and Haibo Ma^*, Designing Promising Molecules for Organic Solar Cells via Machine Learning Assisted Virtual Screening, Frontiers in Chemical Sciences (FICS), Hosted by Indian Institute of Technology Guwahati, Assam, Dec. 6-8, 2018.
4. Harikrishna Sahu, Weining Rao, Alessandro Troisi and Haibo Ma^*, Towards predicting efficiency of organic solar cells via machine learning and improved descriptors, Gordon Research Conference on Hybrid Electronic and Photonic Materials and Phenomena, held at Regal Riverside Hotel in Hong Kong, China, Jun. 10-15, 2018.
5. Harikrishna Sahu, Shashwat Gupta, Priyank Gaur and Aditya N. Panda^*, Structural and optoelectronic properties of pyridine-furan, pyridine-pyrrole and pyridine-thiophene helices: A DFT study, ChemConvene, hosted by Indian Institute of Technology Guwahati, Assam, Apr. 8, 2015.
6. Harikrishna Sahu and Aditya N. Panda^*, Structural and Optoelectronic Properties of Linearly and Helically Conjugated Vinylene-linked Heterocyclic Oligomers: A DFT study, Theoretical chemistry symposium (TCS), hosted by CSIR - National Chemical Laboratory, Pune, Dec. 18-21, 2014.
7. Harikrishna Sahu and Aditya N. Panda^*, Thiophene-Pyrrole-based Oligo-Azomethines for Optoelectronic Applications: A Computational Study, Chemistry with Computers (CWC), hosted by IIIT and IICT, Hyderabad, Jan. 18-19, 2014.
8. Harikrishna Sahu and Aditya N. Panda^*, Detailed Investigation on Charge Injection and Transport Properties of a Series of Thiophene-pyrrole-based Oligo-azomethines, Current Trends in Theoretical Chemistry (CTTC), hosted by Bhabha Atomic Research Centre, Mumbai, Sep. 26-28, 2013.
9. Harikrishna Sahu and Aditya N. Panda^*, Electronic structures of thiophene-pyrrole based oligomers in neutral and charged states: A computational study, Theoretical Chemistry Symposium (TCS), hosted by Indian Institute of Technology Guwahati, Assam, Dec. 19-22, 2012.
10. Harikrishna Sahu and Aditya N. Panda^*, Structural, optical and electronic properties of thiophene and pyrrole based oligomers: A computational study, Frontiers in Chemical Sciences (FICS), hosted by Indian Institute of Technology Guwahati, Assam, Dec. 2-3, 2012.