Kaniselvan, Manasa

3 publications

ICLR 2026 Enhancing Diffusion-Based Sampling with Molecular Collective Variables Juno Nam, Bálint Máté, Artur P. Toshev, Manasa Kaniselvan, Rafael Gomez-Bombarelli, Ricky T. Q. Chen, Brandon M. Wood, Guan-Horng Liu, Benjamin Kurt Miller

ICLR 2026 Learning from the Electronic Structure of Molecules Across the Periodic Table Manasa Kaniselvan, Benjamin Kurt Miller, Meng Gao, Juno Nam, Daniel S. Levine

ICML 2025 Learning the Electronic Hamiltonian of Large Atomic Structures Chen Hao Xia, Manasa Kaniselvan, Alexandros Nikolaos Ziogas, Marko Mladenović, Rayen Mahjoub, Alexander Maeder, Mathieu Luisier