7 papers
Exact tunneling splittings from path-integral hybrid Monte Carlo with enveloping bridging potentials
Yu-Chen Wang, Jeremy O. Richardson
A path-integral hybrid Monte Carlo approach with enveloping bridging potentials (PIHMC-EBP) is proposed for calculating numerically exact tunneling splittings in molecular systems.…
Exact tunneling splittings of rotationally excited states from symmetrized path-integral molecular dynamics
Lea Zupan, Yu-Chen Wang, Jeremy O. Richardson
We extend our previous symmetrized path-integral molecular dynamics approach to calculate tunneling splittings of molecules in rotationally excited states. In this new formalism, t…
Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
Rishab Dutta, Cameron Cianci, Alexander V. Soudackov +5
We introduce the Qumode Subspace Variational Quantum Eigensolver (QSS-VQE), a hybrid quantum-classical algorithm for computing molecular excited states using the Fock basis of boso…
Correlated Purification for Restoring -Representability in Quantum Simulation
Yuchen Wang, Irma Avdic, Michael Rose +4
Classical shadow tomography offers a scalable route to estimating properties of quantum states, but the resulting reduced density matrices (RDMs) often violate constraints that ens…
Constrained Shadow Tomography for Molecular Simulation on Quantum Devices
Irma Avdic, Yuchen Wang, Michael Rose +4
Quantum state tomography is a fundamental task in quantum information science, enabling detailed characterization of correlations, entanglement, and electronic structure in quantum…
Quantum Many-body Simulations from a Reinforcement-Learned Exponential Ansatz
Yuchen Wang, David A. Mazziotti
Solving for the many-body wavefunction represents a significant challenge on both classical and quantum devices because of the exponential scaling of the Hilbert space with system…