Publications

2024

Note:

1. *denotes equal contribution, #denotes corresponding author

2. PDF files of the publications can be accessed here. All of the files are copyrighted. You may download them only if you are entitled to do so by your arrangements with individual publishers.

1. "Explainable machine learning to enable high-throughput electrical conductivity optimization of doped conjugated polymers", Knowledge-Based Systems, 111812, 2024. (Link)

Ji Wei Yoon, Adithya Kumar, Pawan Kumar, Kedar Hippalgaonkar, J Senthilnath, Vijila Chellappan

2. "Experimentally Validated Inverse design of Multi-Property Fe-Co-Ni alloys", iScience, 109723, 2024. (Link)

Shakti P Padhy, V Chaudhary, Yee-Fun Lim, Ruiming Zhu, Muang Thway, Kedar Hippalgaonkar, Raju V Ramanujan

3. "Solvent-Templated Methylammonium-Based Ruddlesden–Popper Perovskites with Short Interlayer Distances", Journal of the American Chemical Society, 146, 10, 6706–6720, 2024. (Link)

Ayan A Zhumekenov, Yongxin Li, Yifan Zhou, Natalia Yantara, Anil Kanwat, Benny Febriansyah, Darrell Jun Jie Tay, Hesham R Abuzeid, Yeow Boon Tay, Emha Bayu Miftahullatif, Kedar Hippalgaonkar, Sumod A Pullarkat, Jun Yin, Nripan Mathews

4. "pHbot: Self‐Driven Robot for pH Adjustment of Viscous Formulations via Physics‐informed‐ML", Chemistry‐Methods, 4, 2, e202300043, 2024. (Link)

Aniket Chitre, Jayce Cheng, Sarfaraz Ahamed, Robert CM Querimit, Benchuan Zhu, Ke Wang, Long Wang, Kedar Hippalgaonkar, Alexei A Lapkin

5. "Rapid in situ growth of high-entropy oxide nanoparticles with reversible spinel structures for efficient Li storage", Journal of Materials Chemistry A, 2024. (Link)

Siyu Zhu, Wei Nong, Lim Jun Ji Nicholas, Xun Cao, Peilin Zhang, Yu Lu, Mingzhen Xiu, Kang Huang, Gang Wu, Shuo-Wang Yang, Junsheng Wu, Zheng Liu, Madhavi Srinivasan, Kedar Hippalgaonkar, Yizhong Huang

6. "Harnessing GPT-3.5 for text parsing in solid-state synthesis–case study of ternary chalcogenides", Digital Discovery, 3, 328-336, 2024. (Link)

Maung Thway, Andre KY Low, Samyak Khetan, Haiwen Dai, Jose Recatala-Gomez, Andy Paul Chen, Kedar Hippalgaonkar

7. "Machine learning based feature engineering for thermoelectric materials by design", Digital Discovery, 3, 210-220, 2024. (Link)

US Vaitesswar, Daniil Bash, Tan Huang, Jose Recatala-Gomez, Tianqi Deng, Shuo-Wang Yang, Xiaonan Wang, Kedar Hippalgaonkar

8. "Optimization of Liquid Handling Parameters for Viscous Liquid Transfers with Pipetting Robots, a “Sticky Situation”", Digital Discovery, 2024. (Link)

Pablo Quijano Velasco, Andre Low, Chang Jie Leong, Wan Ting Ng, Selina Qiu, Shivam Jhunjhunwala, Bryant Li, Anne Qian, Kedar Hippalgaonkar, Jayce Jian Wei Cheng

9. "Accelerated chemical science with AI", Digital Discovery, 3, 23-33, 2024. (Link)

Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz Grzybowski, Geun Ho Gu, Jason Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O Anatole von Lilienfeld, Aron Walsh

10. "Constructing Custom Thermodynamics Using Deep Learning", Nature Computational Science, 4, 66–85, 2024. (Link)

Xiaoli Chen, Beatrice W. Soh, Zi-En Ooi, Eleonore Vissol-Gaudin, Haijun Yu, Kostya S. Novoselov, Kedar Hippalgaonkar, Qianxiao Li