Machine-Learning-Based Predictive Modeling of Glass Transition Temperatures: A Case of Polyhydroxyalkanoate Homopolymers and Copolymers. - Ghanshyam Pilania; Carl N. Iverson; Turab Lookman; Babetta L. Marrone (J. Chem. Inf. Model., 2019)

Polymer Informatics: Current Status and Critical Next Steps. - Lihua Chen; Ghanshyam Pilania; Rohit Batra; Tran Doan Huan; Chiho Kim; Christopher Künneth; Rampi Ramprasad (CoRR, 2020)

Learning from learning machines: a new generation of AI technology to meet the needs of science. - Luca Pion-Tonachini; Kristofer E. Bouchard; Héctor García Martín; Sean Peisert; W. Bradley Holtz; Anil Aswani; Dipankar Dwivedi; Haruko M. Wainwright; Ghanshyam Pilania; Benjamin Nachman; Babetta L. Marrone; Nicola Falco; et al. (CoRR, 2021)

Bioplastic Design using Multitask Deep Neural Networks. - Christopher Künneth; Jessica Lalonde; Babetta L. Marrone; Carl N. Iverson; Rampi Ramprasad; Ghanshyam Pilania (CoRR, 2022)

Best of both worlds: Enforcing detailed balance in machine learning models of transition rates. - Anjana Anu Talapatra; Anup Pandey; Matthew S. Wilson; Ying Wai Li; Ghanshyam Pilania; Blas Pedro Uberuaga; Danny Perez (Comput. Phys. Commun., 2025)

Interpretable multi-source data fusion through Latent Variable Gaussian Process. - Sandipp Krishnan Ravi; Yigitcan Comlek; Arjun Pathak; Vipul Gupta; Rajnikant Umretiya; Andrew Hoffman; Ghanshyam Pilania; Piyush Pandita; Sayan Ghosh; Nathaniel Mckeever; Wei Chen; Liping Wang (Eng. Appl. Artif. Intell., 2025)