1.2k citations · 5.5k across the 46 of their papers we have counts for
26 papers · 1 filter
Adiabatic quantum imaginary time evolution
Kasra Hejazi, Mario Motta, Garnet Kin-Lic Chan
We introduce an adiabatic state preparation protocol which implements quantum imaginary time evolution under the Hamiltonian of the system. Unlike the original quantum imaginary ti…
High-fidelity dimer excitations using quantum hardware
Norhan M. Eassa, Joe Gibbs, Zoe Holmes +7
Many-body entangled quantum spin systems exhibit emergent phenomena such as topological quantum spin liquids with distinct excitation spectra accessed in inelastic neutron scatteri…
Enhancing the Expressivity of Variational Neural, and Hardware-Efficient Quantum States Through Orbital Rotations
Javier Robledo Moreno, Jeffrey Cohn, Dries Sels +1
Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem…
Hierarchical Clifford transformations to reduce entanglement in quantum chemistry wavefunctions
Ryan V. Mishmash, Tanvi P. Gujarati, Mario Motta +3
The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bas…
A stochastic quantum Krylov protocol with double factorized Hamiltonians
Nicholas H. Stair, Cristian L. Cortes, Robert M. Parrish +2
We propose a class of randomized quantum Krylov diagonalization (rQKD) algorithms capable of solving the eigenstate estimation problem with modest quantum resource requirements. Co…
Challenges in the use of quantum computing hardware-efficient Ansatze in electronic structure theory
Ruhee D'Cunha, T. Daniel Crawford, Mario Motta +1
Advances in quantum computation for electronic structure, and particularly heuristic quantum algorithms, create an ongoing need to characterize the performance and limitations of t…
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
Mario Motta, Gavin O. Jones, Julia E. Rice +5
The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An…
Exact and efficient Lanczos method on a quantum computer
William Kirby, Mario Motta, Antonio Mezzacapo
We present an algorithm that uses block encoding on a quantum computer to exactly construct a Krylov space, which can be used as the basis for the Lanczos method to estimate extrem…
Quantum-enhanced Markov chain Monte Carlo
David Layden, Guglielmo Mazzola, Ryan V. Mishmash +4
Sampling from complicated probability distributions is a hard computational problem arising in many fields, including statistical physics, optimization, and machine learning. Quant…
Quantum Computation of Reactions on Surfaces Using Local Embedding
Tanvi P. Gujarati, Mario Motta, Triet Nguyen Friedhoff +9
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of ch…
Experimental Realization of a Measurement-Induced Entanglement Phase Transition on a Superconducting Quantum Processor
Jin Ming Koh, Shi-Ning Sun, Mario Motta +1
Ergodic quantum many-body systems undergoing unitary dynamics evolve towards increasingly entangled states characterized by an extensive scaling of entanglement entropy with system…
Quantum circuits for the preparation of spin eigenfunctions on quantum computers
Alessandro Carbone, Davide Emilio Galli, Mario Motta +1
The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wavefunctions that are relevant in the behavior of the system un…
Emerging quantum computing algorithms for quantum chemistry
Mario Motta, Julia Rice
Digital quantum computers provide a computational framework for solving the Schrödinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantu…
A quantum computational approach to the open-pit mining problem
Yousef Hindy, Jessica Pointing, Meltem Tolunay +3
The determination of optimal open-pit profiles is a well-studied combinatorial optimization problem, with profound technical and conceptual relevance in computational mining. The o…
Doubling the size of quantum simulators by entanglement forging
Andrew Eddins, Mario Motta, Tanvi P. Gujarati +4
Quantum computers are promising for simulations of chemical and physical systems, but the limited capabilities of today's quantum processors permit only small, and often approximat…
Quantum Filter Diagonalization with Double-Factorized Hamiltonians
Jeffrey Cohn, Mario Motta, Robert M. Parrish
We demonstrate a method that merges the quantum filter diagonalization (QFD) approach for hybrid quantum/classical solution of the time-independent electronic Schrödinger equation…
Digital quantum simulation of open quantum systems using quantum imaginary time evolution
Hirsh Kamakari, Shi-Ning Sun, Mario Motta +1
Quantum simulation on emerging quantum hardware is a topic of intense interest. While many studies focus on computing ground state properties or simulating unitary dynamics of clos…
Quantum simulations of molecular systems with intrinsic atomic orbitals
Stefano Barison, Davide Emilio Galli, Mario Motta
Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulation…
Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution
Shi-Ning Sun, Mario Motta, Ruslan N. Tazhigulov +3
Developing scalable quantum algorithms to study finite-temperature physics of quantum many-body systems has attracted considerable interest due to recent advancements in quantum ha…
Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters
Qi Gao, Gavin O. Jones, Mario Motta +7
A quantum chemistry study of the first singlet (S1) and triplet (T1) excited states of phenylsulfonyl-carbazole compounds, proposed as useful thermally activated delayed fluorescen…
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer
Mario Motta, Tanvi P. Gujarati, Julia E. Rice +6
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in…
Quantum algorithms for quantum chemistry and quantum materials science
Bela Bauer, Sergey Bravyi, Mario Motta +1
As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many year…
Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
Dominic W. Berry, Craig Gidney, Mario Motta +2
Recent work has dramatically reduced the gate complexity required to quantum simulate chemistry by using linear combinations of unitaries based methods to exploit structure in the…
Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
Mario Motta, Chong Sun, Adrian Teck Keng Tan +5
The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum…