Publications

2025

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. "Artiﬁcial intelligence for advanced functional materials: Exploring current and future directions", Journal of Physics: Materials, 2025. (Link)

Cristiano Malica, Kostya Novoselov, Amanda S Barnard, Sergei V Kalinin, Steven R Spurgeon, Karsten Reuter, Maite Alducin, Volker L Deringer, Gabor Csanyi, Nicola Marzari, Shirong Huang, Gianaurelio Cuniberti, Qiushi Deng, Pablo Ordejón, Ivan Cole, Kamal Choudhary, Kedar Hippalgaonkar, Ruiming Zhu, O Anatole von Lilienfeld, Mohamed Hibat-Allah, Juan Carrasquilla Alvarez, Giulia Cisotto, Alberto Zancanaro, Wolfgang Wenzel, Andrea C Ferrari, Andrey Ustyuzhanin, Stephan Roche

2. "Synthesis of Machine Learning-Predicted Cs2PbSnI6 Double Perovskite Nanocrystals", ACS Nano, 19, 6, 6107–6119, 2025. (Link)

Pritish Mishra, Mengyuan Zhang, Manaswita Kar, Maria Hellgren, Michele Casula, Benjamin Lenz, Andy Paul Chen, Jose Recatala-Gomez, Shakti Prasad Padhy, Marina Cagnon Trouche, Mohamed-Raouf Amara, Ivan Cheong, Zengshan Xing, Carole Diederichs, Tze Chien Sum, Martial Duchamp, Yeng Ming Lam, Kedar Hippalgaonkar

3. "Screening of Coulombic Interactions To Achieve a Higher Power Factor in Conjugated Polymers", ACS Applied Materials & Interfaces, 17, 6, 9431–9439, 2025. (Link)

Pawan Kumar, Anas Abutaha, Gang Wu, Madeleine P Gordon, Jose Recatala-Gomez, Jeffrey J Urban, Kedar Hippalgaonkar

4. "Emerging trends in the optimization of organic synthesis through high-throughput tools and machine learning", Beilstein Journal of Organic Chemistry, 21, 10–38, 2025. (Link)

Pablo Quijano Velasco, Kedar Hippalgaonkar, Balamurugan Ramalingam

5. "Opentrons for automated and high-throughput viscometry", Digital Discovery, 2025. (Link)

Beatrice W Soh, Aniket Chitre, Shu Zheng Tan, Yuhan Wang, Yinqi Yi, Wendy Soh, Kedar Hippalgaonkar, D Ian Wilson