GitHub

ADAPT-VQE Simulation Code

This repository contains code to simulate a wide array of variants of the Adaptive Derivative-Assembled Problem-Tailored (ADAPT) - Variational Quantum Eigensolver (VQE). In particular, this code was ...
C&EN

Classical Preoptimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications

Department of Physics, Virginia Tech, Blacksburg, Virginia 24061, United States Virginia Tech Center for Quantum Information Science and Engineering, Blacksburg, Virginia 24061, United States ...
GitHub

Quantum Chemistry Simulation of Dibenzothiophene for Asphalt Aging Analysis

This repository contains a complete quantum chemistry pipeline for analyzing dibenzothiophene (DBT), a key sulfur-containing compound in asphalt binders. The implementation uses Variational Quantum ...
IEEE

Symmetry Breaking Slows Convergence of the ADAPT Variational Quantum Eigensolver

Abstract: The accurate treatment of molecular systems exhibiting strong electronic correlations has long been a target of quantum simulation. Strong correlation often results in symmetry-breaking of ...