168 citations · 306 across the 14 of their papers we have counts for
14 papers
Qubit-efficient quantum chemistry with the ADAPT variational quantum eigensolver and double unitary downfolding
Harjeet Singh, Luke W. Bertels, Daniel Claudino +5
In this work, we combine the recently developed double unitary coupled cluster (DUCC) theory with the adaptive, problem-tailored variational quantum eigensolver (ADAPT-VQE) to expl…
An attractive way to correct for missing singles excitations in unitary coupled cluster doubles theory
Zachary W. Windom, Daniel Claudino, Rodney J. Bartlett
Coupled cluster methods based exclusively on double excitations are comparatively "cheap" and interesting model chemistries, as they are typically able to capture the bulk of the d…
Parallel Quantum Computing Simulations via Quantum Accelerator Platform Virtualization
Daniel Claudino, Dmitry I. Lyakh, Alexander J. McCaskey
Quantum circuit execution is the central task in quantum computation. Due to inherent quantum-mechanical constraints, quantum computing workflows often involve a considerable numbe…
A new "gold standard": perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing
Zachary W. Windom, Daniel Claudino, Rodney J. Bartlett
A major difficulty in quantum simulation is the adequate treatment of a large collection of entangled particles, synonymous with electron correlation in electronic structure theory…
Quantum Simulation of Boson-Related Hamiltonians: Techniques, Effective Hamiltonian Construction, and Error Analysis
Bo Peng, Yuan Su, Daniel Claudino +3
A broad spectrum of physical systems in condensed-matter and high-energy physics, vibrational spectroscopy, and circuit and cavity QED necessitates the incorporation of bosonic deg…
Modeling singlet fission on a quantum computer
Daniel Claudino, Bo Peng, Karol Kowalski +1
We present a use case of practical utility of quantum computing by employing a quantum computer in the investigation of the linear H molecule as a simple model to comply with t…
The Basics of Quantum Computing for Chemists
Daniel Claudino
The rapid and successful strides in quantum chemistry in the past decades can be largely credited to a conspicuous synergy between theoretical and computational advancements. Howev…
Numerical Simulations of Noisy Quantum Circuits for Computational Chemistry
Jerimiah Wright, Meenambika Gowrishankar, Daniel Claudino +4
The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as…
A backend-agnostic, quantum-classical framework for simulations of chemistry in C++
Daniel Claudino, Alexander J. McCaskey, Dmitry I. Lyakh
As quantum computing hardware systems continue to advance, the research and development of performant, scalable, and extensible software architectures, languages, models, and compi…
Improving the accuracy and efficiency of quantum connected moments expansions
Daniel Claudino, Bo Peng, Nicholas P. Bauman +2
The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the vari…
Benchmarking adaptive variational quantum eigensolvers
Daniel Claudino, Jerimiah Wright, Alexander J. McCaskey +1
By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational pr…
Extending C++ for Heterogeneous Quantum-Classical Computing
Thien Nguyen, Anthony Santana, Tyler Kharazi +3
We present qcor - a language extension to C++ and compiler implementation that enables heterogeneous quantum-classical programming, compilation, and execution in a single-source co…
Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations
Eric J. Bylaska, Duo Song, Nicholas P. Bauman +3
For many-body methods such as MCSCF and CASSCF, in which the number of one-electron orbitals are optimized and independent of basis set used, there are no problems with using plane…
Is the Trotterized UCCSD Ansatz chemically well-defined?
Harper R. Grimsley, Daniel Claudino, Sophia E. Economou +2
The variational quantum eigensolver (VQE) has emerged as one of the most promising near-term quantum algorithms that can be used to simulate many-body systems such as molecular ele…