4 papers · 1 filter
Theory and practice of Trotter product formulas for quantum chemistry
Pablo A. M. Casares, William Maxwell, Danial Motlagh +7
Trotter product formulas are a fundamental class of methods for Hamiltonian simulation, particularly attractive due to their low qubit requirements. However, they are often overloo…
Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science
Roman Firt, Neel Misciasci, Jonathan E. Mueller +4
We evaluate the Sample-based Krylov Quantum Diagonalization (SKQD) algorithm on one- and two-dimensional Heisenberg models, including strongly correlated regimes in which the groun…
Fast simulations of X-ray absorption spectroscopy for battery materials on a quantum computer
Stepan Fomichev, Pablo A. M. Casares, Jay Soni +5
X-ray absorption spectroscopy (XAS) is a leading technique for understanding structural changes in advanced battery materials such as lithium-excess cathodes. However, extracting c…
Simulating X-ray absorption spectroscopy of battery materials on a quantum computer
Stepan Fomichev, Kasra Hejazi, Ignacio Loaiza +5
X-ray absorption spectroscopy is a crucial experimental technique for elucidating the mechanisms of structural degradation in battery materials. However, extracting information fro…