Unified theory of atom-centered representations and graph convolutional machine-learning schemes. - Jigyasa Nigam; Guillaume Fraux; Michele Ceriotti (CoRR, 2022)

Completeness of Atomic Structure Representations. - Jigyasa Nigam; Sergey N. Pozdnyakov; Kevin K. Huguenin-Dumittan; Michele Ceriotti (CoRR, 2023)

Electronic excited states from physically-constrained machine learning. - Edoardo Cignoni; Divya Suman; Jigyasa Nigam; Lorenzo Cupellini; Benedetta Mennucci; Michele Ceriotti (CoRR, 2023)

AniSOAP: Machine Learning Representations for Coarse-grained and Non-spherical Systems. - Arthur Yan Lin; Lucas Ortengren; Seonwoo Hwang; Yong-Cheol Cho; Jigyasa Nigam; Rose K. Cersonsky (J. Open Source Softw., 2025)