129 citations · 208 across the 11 of their papers we have counts for
11 papers
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…
First-Quantized Quantum Simulation of Non-Relativistic QED with Emergent Topologically Protected Coulomb Interactions
Torin Stetina, Nathan Wiebe
We provide a simulation algorithm that properly addresses light matter interaction between non-relativistic first-quantized charged particles and quantum electromagnetic fields. Un…
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…
Efficient state preparation for the quantum simulation of molecules in first quantization
William J. Huggins, Oskar Leimkuhler, Torin F. Stetina +1
The quantum simulation of real molecules and materials is one of the most highly anticipated applications of quantum computing. Algorithms for simulating electronic structure using…
An efficient quantum algorithm for generation of ab initio n-th order susceptibilities for non-linear spectroscopies
Tyler Kharazi, Torin F. Stetina, Liwen Ko +2
We develop and analyze a fault-tolerant quantum algorithm for computing -th order response properties necessary for analysis of non-linear spectroscopies of molecular and conden…
Quantum Simulation of the First-Quantized Pauli-Fierz Hamiltonian
Priyanka Mukhopadhyay, Torin F. Stetina, Nathan Wiebe
We provide an explicit recursive divide and conquer approach for simulating quantum dynamics and derive a discrete first quantized non-relativistic QED Hamiltonian based on the man…
Generating Approximate Ground States of Molecules Using Quantum Machine Learning
Jack Ceroni, Torin F. Stetina, Maria Kieferova +3
The potential energy surface (PES) of molecules with respect to their nuclear positions is a primary tool in understanding chemical reactions from first principles. However, obtain…
Say NO to Optimization: A Non-Orthogonal Quantum Eigensolver
Unpil Baek, Diptarka Hait, James Shee +5
A balanced description of both static and dynamic correlations in electronic systems with nearly degenerate low-lying states presents a challenge for multi-configurational methods…
Efficient Four-Component Dirac-Coulomb-Gaunt Hartree--Fock in Pauli Spinor Representation
Shichao Sun, Torin Stetina, Tianyuan Zhang +4
Four-component Dirac Hartree--Fock is an accurate mean-field method for treating molecular systems where relativistic effects are important. However, the computational cost and com…
Simulating Effective QED on Quantum Computers
Torin F. Stetina, Anthony Ciavarella, Xiaosong Li +1
In recent years simulations of chemistry and condensed materials has emerged as one of the preeminent applications of quantum computing, offering an exponential speedup for the sol…
The Chronus Quantum (ChronusQ) Software Package
David B. Williams-Young, Alessio Petrone, Shichao Sun +12
The Chronus Quantum (ChronusQ) software package is an open source (under the GNU General Public License v2) software infrastructure which targets the solution of challenging proble…