48 citations · 50 across the 5 of their papers we have counts for
5 papers
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…
Initial state preparation for quantum chemistry on quantum computers
Stepan Fomichev, Kasra Hejazi, Modjtaba Shokrian Zini +8
Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected enti…