3 papers
physics.chem-ph2025
A direct approach to computing the non-interacting kinetic energy functional
Dharamveer Kumar, Amuthan A. Ramabathiran
The non-interacting kinetic energy functional, , plays a fundamental role in Density Functional Theory (DFT), but its explicit form remains unknown for arbitrary -rep…
cond-mat.mtrl-sci2025
Size-Dependent Power Laws for Edge Dislocations in Nickel Superalloys: A Molecular Dynamics Study
Divyeshkumar A. Mistry, Amuthan A. Ramabathiran
We present computational evidence using MD simulations of a size effect for the critical resolved shear stress (CRSS) of edge dislocation motion in nickel superalloys. We model the…
cs.LG2021
SPINN: Sparse, Physics-based, and partially Interpretable Neural Networks for PDEs
Amuthan A. Ramabathiran, Prabhu Ramachandran
We introduce a class of Sparse, Physics-based, and partially Interpretable Neural Networks (SPINN) for solving ordinary and partial differential equations (PDEs). By reinterpreting…