43 citations · 163 across the 11 of their papers we have counts for
3 papers · 1 filter
Toward linear scaling auxiliary field quantum Monte Carlo with local natural orbitals
Jo S. Kurian, Hong-Zhou Ye, Ankit Mahajan +2
We develop a local correlation variant of auxiliary field quantum Monte Carlo (AFQMC) that is based on local natural orbitals (LNO-AFQMC). In LNO-AFQMC, independent AFQMC calculati…
Response properties in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Jo S. Kurian, Joonho Lee +2
We present a method for calculating first-order response properties in phaseless auxiliary field quantum Monte Carlo (AFQMC) through the application of automatic differentiation (A…
Microscopic Theory of Multimode Polariton Dispersion in Multilayered Materials
Arkajit Mandal, Ding Xu, Ankit Mahajan +3
We develop a microscopic theory for the multimode polariton dispersion in materials coupled to cavity radiation modes. Starting from a microscopic light-matter Hamiltonian, we devi…