Publications: 2024

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. "WyCryst: Wyckoff inorganic crystal generator framework", Matter, 7, 10, 3469 - 3488, 2024. (Link)

Ruiming Zhu, Wei Nong, Shuya Yamazaki, Kedar Hippalgaonkar

2. "Composition driven machine learning for unearthing high-strength lightweight multi-principal element alloys", Journal of Alloys and Compounds, 1008, 176517, 2024. (Link)

Mengxing Li, Xiu Kun Quek, Hongli Suo, Delvin Wuu, Jing Jun Lee, Wei Hock Teh, Fengxia Wei, Riko I Made, Dennis Cheng Cheh Tan, Si Rong Ng, Siyuan Wei, Andre Kai Yuan Low, Kedar Hippalgaonkar, Yee-Fun Lim, Pei Wang, Chee Koon Ng

3. "Stable and Highly Emissive Infrared Yb-Doped Perovskite Quantum Cutters Engineered by Machine Learning (Adv. Mater. 44/2024)", Advanced Materials, 36, 44 , 2470352, 2024. (Link)

Yao Jing, Andre KY Low, Yun Liu, Minjun Feng, Jia Wei Melvin Lim, Siow Mean Loh, Quadeer Rehman, Steven A Blundel, Nripan Mathews, Kedar Hippalgaonkar, Tze Chien Sum, Annalisa Bruno, Subodh G Mhaisalkar

4. "Predicting High-Performance Thermoelectric Materials With StarryData2", Advanced Theory and Simulations, 7, 11, 2400308, 2024. (Link)

Nuttawat Parse, Jose Recatala‐Gomez, Ruiming Zhu, Andre KY Low, Kedar Hippalgaonkar, Tomoya Mato, Yukari Katsura, Supree Pinitsoontorn

5. "Stable and Highly Emissive Infrared Yb-Doped Perovskite Quantum Cutters Engineered by Machine Learning", Advanced Materials, 36, 44, 2405973, 2024. (Link)

6. "Generative Design and Experimental Validation of Non-Fullerene Acceptors for Photovoltaics", AACS Energy Letters, 9, 10, 5240-5250, 2024. (Link)

Jin Da Tan, Balamurugan Ramalingam, Vijila Chellappan, Nipun Kumar Gupta, Laurent Dillard, Saif A Khan, Casey Galvin, Kedar Hippalgaonkar

7. "Oxidation Control to Augment Interfacial Charge Transport in Te-P3HT Hybrid Materials for High Thermoelectric Performance", Advanced Science, 11, 35, 2400802, 2024. (Link)

Syed Zulfiqar Hussain Shah, Zhenyu Ding, Zainul Aabdin, Weng Weei Tjiu, Jose Recatala‐Gomez, Haiwen Dai, Xiaoping Yang, Repaka Durga Venkata Maheswar, Gang Wu, Kedar Hippalgaonkar, Iris Nandhakumar, Pawan Kumar

8. "Boosting Aluminum Adsorption and Deposition on Single-Atom Catalysts in Aqueous Aluminum-Ion Battery", Advanced Energy Materials, 14, 34, 2401598, 2024. (Link)

Erhai Hu, Bei‐Er Jia, Wei Nong, Chenguang Zhang, Bing Zhu, Dongshuang Wu, Jiawei Liu, Chao Wu, Shibo Xi, Dong Xia, Mingsheng Zhang, Man‐Fai Ng, Afriyanti Sumboja, Kedar Hippalgaonkar, Qingyu Yan

9. "Few-layer Bi2O2Se: a promising candidate for high-performance near-room-temperature thermoelectric applications", Nanotechnology, 35, 465401, 2024. (Link)

Weng Hou Yip, Qundong Fu, Jing Wu, Kedar Hippalgaonkar, Zheng Liu, Xingli Wang, Mohamed Boutchich, Beng Kang Tay

10. "Thermoelectric Property Enhancement of Tellurium Nanowires by Surface Passivation", ACS Applied Materials & Interfaces, 16, 35, 46191–46199, 2024. (Link)

Syed Zulfiqar Hussain Shah, Zainul Aabdin, Weng Weei Tjiu, Wei Nong, Jose Recatala-Gomez, Vijila Chellappan, Wenhao Zhai, Durga Venkata Maheswar Repaka, Gang Wu, Kedar Hippalgaonkar, Iris Nandhakumar, Pawan Kumar

11. "Resonant Raman Spectroscopy of 2D Breathing Kagome Lattice Nb3TeCl7", Conference on Lasers and Electro-Optics/Pacific Rim, Optica Publishing Group, 2024. (Link)

Saejin Oh, Jinsu Kang, Wei Nong, Kedar Hippalgaonkar, Shuo-Wang Yang, Gang Wu, Jae-Young Choi, Ji-Hee Kim

12. "Augmented chalcopyrites: A search for new Cu-In-Te phases", American Physical Society, 8, 083801, 2024. (Link)

Andy Paul Chen, Wei Nong, Maung Thway, Jose Recatala-Gomez, Haiwen Dai, Wenhao Zhai, DV Maheswar Repaka, Kedar Hippalgaonkar

13. "Structural Evolution of Millisecond Laser-Induced Metastable Crystalline GeTe", ACS Applied Electronic Materials, 6, 7, 4977–4987, 2024. (Link)

Jose Recatala-Gomez, Yun Li, Nur Qalishah Adanan, Biplab Ghosh, Haiwen Dai, Yang Bai, Chenguang Zhang, Samuel A Morris, Zavier Goh You Jin, Wenhao Zhai, Tobias WW Mass, Pawan Kumar, FengXia Wei, Maung Thway, Rafikul Ali Saha, Eduardo Solano, Martin Rosenthal, Maarten Roeffaers, Nigel Kirby, Izabela Miłogrodzka, Robert E Simpson, Kwan W Tan, Kedar Hippalgaonkar

14. "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

15. "Accelerating Formulation Design via Machine Learning: Generating a High-throughput Shampoo Formulations Dataset", Scientific Data, 11, 728, 2024. (Link)

Aniket Chitre, Robert CM Querimit, Simon D Rihm, Dogancan Karan, Benchuan Zhu, Ke Wang, Long Wang, Kedar Hippalgaonkar, Alexei A Lapkin

16. "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

17. "Evolution-guided Bayesian optimization for constrained multi-objective optimization in self-driving labs", npj Computational Materials, 10, 104, 2024. (Link)

Andre KY Low, Flore Mekki-Berrada, Abhishek Gupta, Aleksandr Ostudin, Jiaxun Xie, Eleonore Vissol-Gaudin, Yee-Fun Lim, Qianxiao Li, Yew Soon Ong, Saif A Khan, Kedar Hippalgaonkar

18. "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

19. "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

20. "Multi-objective synthesis optimization and kinetics of a sustainable terpolymer", Digital Discovery, 3, 2628-2636, 2024. (Link)

Jin Da Tan, Andre KY Low, Shannon Thoi Rui Ying, Sze Yu Tan, Wenguang Zhao, Yee-Fun Lim, Qianxiao Li, Saif A Khan, Balamurugan Ramalingam, Kedar Hippalgaonkar

21. "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

22. "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

23. "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

24. "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

25. "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

26. "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