3 papers
quant-ph2026
An approach for calculating astrophysical opacities on quantum computers
Shivesh Pathak, Alina Kononov, Andrew D. Baczewski
We propose a quantum algorithmic protocol for calculating astrophysical opacities. Our implementation uses first- and second-quantized representations of interacting electronic and…
physics.comp-ph2020
A light weight regularization for wave function parameter gradients in quantum Monte Carlo
Shivesh Pathak, Lucas K. Wagner
The parameter derivative of the expectation value of the energy, , is a key ingredient in variational quantum Monte Carlo (VMC) wave function optimization me…
cond-mat.mtrl-sci2018
Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte Carlo
Shivesh Pathak, Lucas K. Wagner
The accuracy and efficiency of ab-initio quantum Monte Carlo (QMC) algorithms benefits greatly from compact variational trial wave functions that accurately reproduce ground state…