48 citations · 78 across the 18 of their papers we have counts for
19 papers
Finite-temperature Green's function cluster expansion from thermofield doubles: Breakdown of the polaron picture
M. R. Carbone, S. Fomichev, B. Kloss +4
We introduce a method, numerically exact in principle, for computing the momentum- and frequency-resolved single-particle Green's function of a polaron at finite temperature. The m…
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…
Practical Estimation of Trotter Error for Hamiltonian Simulation
William Maxwell, Pablo A. M. Casares, Robert A. Lang +7
Trotter product formulas are a leading approach for Hamiltonian simulation on quantum computers, yet their practical performance has remained difficult to assess due to the challen…
Quantum algorithm for simulating resonant inelastic X-ray scattering in battery materials
Ignacio Loaiza, Alexander Kunitsa, Stepan Fomichev +9
Resonant inelastic X-ray scattering (RIXS) is the workhorse experimental technique for probing the structural degradation of higher-capacity cathode materials. However, the interpr…
Quantum Simulations for Extreme Ultraviolet Photolithography
Tyler D. Kharazi, Stepan Fomichev, Shu Kanno +4
A key challenge of extreme ultraviolet (EUV) lithography in semiconductor fabrication is the line edge roughness or "blur" produced by the electron cascades following absorption of…
Quantum Algorithms for Photoreactivity in Cancer-Targeted Photosensitizers
Yanbing Zhou, Pablo A. M. Casares, Diksha Dhawan +5
Photodynamic therapy (PDT) is a targeted cancer treatment that uses light-activated photosensitizers to generate reactive oxygen species that selectively destroy tumor cells, gener…
Filtered Quantum Phase Estimation
Gwonhak Lee, Minhyeok Kang, Jungsoo Hong +2
Accurate state preparation is a critical bottleneck in many quantum algorithms, particularly those for ground-state energy estimation. Even in fault-tolerant quantum computing, pre…
Quantum Simulation of Electron Energy Loss Spectroscopy for Battery Materials
Alexander Kunitsa, Diksha Dhawan, Stepan Fomichev +3
The dynamic structure factor (DSF) is a central quantity for interpreting a vast array of inelastic scattering experiments in chemistry and materials science, but its accurate simu…
Trotter simulation of vibrational Hamiltonians on a quantum computer
Shreyas Malpathak, Sangeeth Das Kallullathil, Ignacio Loaiza +3
Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detect…
Quantum algorithms to detect ODMR-active defects for quantum sensing applications
Pablo A. M. Casares, Yanbing Zhou, Utkarsh Azad +6
Spin defects in two-dimensional materials are a promising platform for quantum sensing. Simulating the defect's optical response and optically detected magnetic resonance (ODMR) co…
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 near-infrared spectroscopy on a quantum computer for enhanced chemical detection
Ignacio Loaiza, Stepan Fomichev, Danial Motlagh +5
Near-infrared (NIR) spectroscopy is a non-invasive, low-cost, reagent-less, and rapid technique to measure chemical concentrations in a wide variety of sample types. However, extra…
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…
Exciton dissociation mediated by phonons in organic photovoltaics
Stepan Fomichev, Leonard Ruocco, Alexandra Tully +1
It is well known that phonons can overscreen the bare Coulomb electron-electron repulsion, turning it into the effective attraction that binds the Cooper pairs responsible for BCS…
The Generalized Green's function Cluster Expansion: A Python package for simulating polarons
Matthew R. Carbone, Stepan Fomichev, Andrew J. Millis +3
We present an efficient implementation of the Generalized Green's function Cluster Expansion (GGCE), which is a new method for computing the ground-state properties and dynamics of…
Renormalized phonon spectrum of polyacetylene and similar materials
Stepan Fomichev, Mona Berciu
Motivated to understand the phonon spectrum renormalization in the ground state of the half-filled SSH model, we use the Born-Oppenheimer approximation together with the harmonic a…
Effects of reduced dimensionality, crystal field, electron-lattice coupling, and strain on the ground-state of a rare-earth nickelates monolayer
Rodrigo Chavez Zavaleta, Stepan Fomichev, Giniyat Khaliullin +1
Motivated by the potential for cuprate-like superconductivity in monolayer rare-earth nickelate superlattices, we study the effects of crystal field splitting, lattice distortions…
Effect of the electron-lattice coupling on the charge and magnetic order in rare-earth nickelates
Stepan Fomichev, Giniyat Khaliullin, Mona Berciu
We investigate the impact of electron-lattice coupling on the stability of various magnetic orders in rare-earth nickelates. We use the Hartree-Fock approximation, at zero temperat…