129 citations · 281 across the 20 of their papers we have counts for
6 papers · 1 filter
Estimating Eigenenergies from Quantum Dynamics: A Unified Noise-Resilient Measurement-Driven Approach
Yizhi Shen, Daan Camps, Aaron Szasz +5
Ground state energy estimation in physical, chemical, and materials sciences is one of the most promising applications of quantum computing. In this work, we introduce a new hybrid…
Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory
David B. Williams-Young, Stephen Yuwono, A. Eugene DePrince +1
With growing demand for time-domain simulations of correlated many-body systems, the development of efficient and stable integration schemes for the time-dependent Schrödinger equa…
Using Diffusion Maps to Analyze Reaction Dynamics for a Hydrogen Combustion Benchmark Dataset
Taehee Ko, Joseph Heindel, Xingyi Guan +3
We use local diffusion maps to assess the quality of two types of collective variables (CVs) for a recently published hydrogen combustion benchmark dataset~\cite{guan2022benchmark}…
Distributed Memory, GPU Accelerated Fock Construction for Hybrid, Gaussian Basis Density Functional Theory
David B. Williams-Young, Andrey Asadchev, Doru Thom Popovici +5
With the growing reliance of modern supercomputers on accelerator-based architectures such a GPUs, the development and optimization of electronic structure methods to exploit these…
A Parallel, Distributed Memory Implementation of the Adaptive Sampling Configuration Interaction Method
David B. Williams-Young, Norm M. Tubman, Carlos Mejuto-Zaera +1
Many-body simulations of quantum systems is an active field of research that involves many different methods targeting various computing platforms. Many methods commonly employed,…
Computing the many-body Green's function with adaptive variational quantum dynamics
Niladri Gomes, David B. Williams-Young, Wibe A. de Jong
We present a method to compute the many-body real-time Green's function using an adaptive variational quantum dynamics simulation approach. The real-time Green's function involves…