1k citations · 2.3k across the 41 of their papers we have counts for
42 papers
Efficient computation of real-time correlators using Pauli Propagation
Alexander F. Kemper, Raghav G. Jha, Arnab Bachhar +3
Pauli propagation has shown promise for classically simulating quantum dynamics by evolving observables directly in the Heisenberg picture. In this work, we investigate its use for…
TIMES-ADAPT: A Quantum algorithm for real-time evolution in low-energy subspaces using fixed-depth circuits
Bharath Sambasivam, Kyle Sherbert, Karunya Shirali +3
We propose a new variational quantum algorithm, which we refer to as TIMES-ADAPT, that prepares time-evolved states in a low-energy or symmetric subspace of a time-independent Hami…
Co-Designed Adaptive Quantum State Preparation Protocols
Mafalda Ramôa, Luis Paulo Santos, Nicholas J. Mayhall +2
We propose a co-designed variant of ADAPT-VQE (Co-ADAPT-VQE) where the quantum hardware is taken into account in the construction of the ansatz. This framework can be readily used…
Pauli propagation enables fast classical simulation of strongly correlated quantum systems
Chinmay Shrikhande, Arnab Bachhar, Aaron Rodriguez Jimenez +2
Ground state energy estimation for strongly correlated quantum systems remains a central challenge in computational physics and chemistry. While tensor network methods like DMRG pr…
Computing Exchange Coupling constants in Transition metal complexes with Tensor Product Selected Configuration Interaction
Arnab Bachhar, Nicholas J. Mayhall
Transition metal complexes present significant challenges for electronic structure theory due to strong electron correlation arising from partially filled -orbitals. We compare…
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…
TEPID-ADAPT: Adaptive variational method for simultaneous preparation of low-temperature Gibbs and low-lying eigenstates
Bharath Sambasivam, Kyle Sherbert, Karunya Shirali +4
Preparing Gibbs states, which describe systems in equilibrium at finite temperature, is of great importance, particularly at low temperatures. In this work, we propose a new method…
Floquet-ADAPT-VQE: A Quantum Algorithm to Simulate Non-Equilibrium Physics in Periodically Driven Systems
Abhishek Kumar, Karunya Shirali, Nicholas J. Mayhall +2
Periodically driven quantum systems exhibit many fascinating phenomena absent in equilibrium systems, but their simulation is more challenging than that of static systems. Conseque…
Reducing the Resources Required by ADAPT-VQE Using Coupled Exchange Operators and Improved Subroutines
Mafalda Ramôa, Panagiotis G. Anastasiou, Luis Paulo Santos +3
Adaptive variational quantum algorithms arguably offer the best prospects for quantum advantage in the Noisy Intermediate-Scale Quantum era. Since the inception of the first such a…
Minimal evolution times for fast, pulse-based state preparation in silicon spin qubits
Christopher K. Long, Nicholas J. Mayhall, Sophia E. Economou +5
Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate…
Restricted Open-shell cluster Mean-Field theory for Strongly Correlated Systems
Arnab Bachhar, Nicholas J. Mayhall
The cluster-based Mean Field method (cMF) and it's second order perturbative correction[1], was introduced by Jiménez-Hoyos and Scuseria to reduce the cost of modeling strongly cor…
Parameterization and optimizability of pulse-level VQEs
Kyle M Sherbert, Hisham Amer, Sophia E Economou +2
In conventional variational quantum eigensolvers (VQEs), trial states are prepared by applying series of parameterized gates to a reference state, with the gate parameters being va…
Accurate and Interpretable Representation of Correlated Electronic Structure via Tensor Product Selected CI
Nicole M. Braunscheidel, Arnab Bachhar, Nicholas J. Mayhall
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in…
Physically motivated improvements of Variational Quantum Eigensolvers
Nonia Vaquero-Sabater, Abel Carreras, Román Orús +2
The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quan…
Reducing measurement costs by recycling the Hessian in adaptive variational quantum algorithms
Mafalda Ramôa, Luis Paulo Santos, Nicholas J. Mayhall +2
Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum process…
How to really measure operator gradients in ADAPT-VQE
Panagiotis G. Anastasiou, Nicholas J. Mayhall, Edwin Barnes +1
ADAPT-VQE is a leading variational quantum algorithm as it circumvents the choice-of-ansatz conundrum by iteratively growing compact and arbitrarily accurate problem-tailored ansät…
Generalization of the tensor product selected CI method for molecular excited states
Nicole M. Braunscheidel, Vibin Abraham, Nicholas J. Mayhall
In a recent paper [JCTC, 2020, 16, 6098], we introduced a new approach for accurately approximating full CI ground states in large electronic active-spaces, called Tensor Product S…
Quantum simulation of molecular response properties
Ashutosh Kumar, Ayush Asthana, Vibin Abraham +6
Accurate modeling of the response of molecular systems to an external electromagnetic field is challenging on classical computers, especially in the regime of strong electronic cor…
TETRIS-ADAPT-VQE: An adaptive algorithm that yields shallower, denser circuit ansätze
Panagiotis G. Anastasiou, Yanzhu Chen, Nicholas J. Mayhall +2
Adaptive quantum variational algorithms are particularly promising for simulating strongly correlated systems on near-term quantum hardware, but they are not yet viable due, in lar…
Symmetry breaking slows convergence of the ADAPT Variational Quantum Eigensolver
Luke W. Bertels, Harper R. Grimsley, Sophia E. Economou +2
Because quantum simulation of molecular systems is expected to provide the strongest advantage over classical computing methods for systems exhibiting strong electron correlation,…
New Local Explorations of the Unitary Coupled Cluster Energy Landscape
Harper R. Grimsley, Nicholas J. Mayhall
The recent quantum information boom has effected a resurgence of interest in unitary coupled cluster (UCC) theory. Our group's interest in local energy landscapes of unitary ansätz…
Coupled electron pair-type approximations for tensor product state wavefunctions
Vibin Abraham, Nicholas J. Mayhall
Size extensivity, defined as the correct scaling of energy with system size, is a desirable property for any many-body method. Traditional CI methods are not size extensive hence t…
Scaling adaptive quantum simulation algorithms via operator pool tiling
John S. Van Dyke, Karunya Shirali, George S. Barron +3
Adaptive variational quantum simulation algorithms use information from the quantum computer to dynamically create optimal trial wavefunctions for a given problem Hamiltonian. A ke…
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
Ayush Asthana, Ashutosh Kumar, Vibin Abraham +8
Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate…