top of page

  2025

Accelerating Molecular Dynamics with a Graph Neural Network: A Scalable Approach through E (q) C-GNN
Debasis Maji, Atish Ghosh, Debaditya Barman, Pranab Sarkar
J. Phys. Chem. Lett., DOI: 10.1021/acs.jpclett.5c00217(Link)

Understanding asymmetric hydrogenation of alkenes catalyzed by the first-row transition metal Fe: a first-principles exploration
Akhilesh Mahato, Anupama Mahato, Sourav Ghoshal, Anup Pramanik, Pranab Sarkar
Phys. Chem. Chem. Phys., DOI:10.1039/D4CP03583F(Link)

Null Lagrangians in Schwarzian mechanics
Pratik Majhi, Madan Mohan Panja, Pranab Sarkar, Benoy Talukdar
Phys. Lett. A, DOI:10.1016/j.physleta.2024.130092(Link)

bottom of page