5 citations · 16 across the 18 of their papers we have counts for
21 papers
Basis Functions for Time-Dependent Kohn-Sham Inversion
Paul M. Zimmerman, Joshua Kammeraad, Duy-Khoi Dang +1
Floquet theory provides insight into the inversion of time-dependent Kohn-Sham density functional theory. Specifically, mathematical derivations show that the fundamental frequenci…
Learning Memory-Dependent Neural Network Correlation Potentials for Accurate Electron Dynamics
Harish S. Bhat, Christine M. Isborn
Time-dependent density functional theory, though exact in theory, is in practice applied in an adiabatic approximation using exchange-correlation functionals with only local tempor…
RELift: Learned Coarse-to-Fine Propagators for Time-Dependent PDEs with Applications to Electron Dynamics
Hardeep Bassi, Yuanran Zhu, Erika Ye +5
We present RELift (Restrict, Evolve, Lift), a two-phase learning framework that couples coarse-grid numerical solvers with neural operators to super-resolve and forecast fine-grid…
From noisy observables to accurate ground state energies: a quantum classical signal subspace approach with denoising
Hardeep Bassi, Yizhi Shen, Harish S. Bhat +1
We propose a hybrid quantum-classical algorithm for ground state energy (GSE) estimation that remains robust to highly noisy data and exhibits low sensitivity to hyperparameter tun…
Second-Order Adjoint Method for Quantum Optimal Control
Harish S. Bhat
We derive and implement a second-order adjoint method to compute exact gradients and Hessians for a prototypical quantum optimal control problem, that of solving for the minimal en…
Nonlinear Optimal Control of Electron Dynamics within Hartree-Fock Theory
Harish S. Bhat, Hardeep Bassi, Christine M. Isborn
Consider the problem of determining the optimal applied electric field to drive a molecule from an initial state to a desired target state. For even moderately sized molecules, sol…