731 citations · 1.4k across the 9 of their papers we have counts for
9 papers
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…
Range-Separated Stochastic Resolution of Identity: Formulation and Application to Second Order Green's Function Theory
Wenjie Dou, Ming Chen, Tyler Y. Takeshita +3
We develop a range-separated stochastic resolution of identity approach for the -index electron repulsion integrals, where the larger terms (above a predefined threshold) are tr…
Hartree-Fock on a superconducting qubit quantum computer
Frank Arute, Kunal Arya, Ryan Babbush +79
As the search continues for useful applications of noisy intermediate scale quantum devices, variational simulations of fermionic systems remain one of the most promising direction…
A Heuristic Quantum-Classical Algorithm for Modeling Substitutionally Disordered Binary Crystalline Materials
Tanvi P. Gujarati, Tyler Takeshita, Andreas Hintennach +1
Improving the efficiency and accuracy of energy calculations has been of significant and continued interest in the area of materials informatics, a field that applies machine learn…
Quantum Chemistry Simulations of Dominant Products in Lithium-Sulfur Batteries
Julia E. Rice, Tanvi P. Gujarati, Tyler Y. Takeshita +4
Quantum chemistry simulations of some industrially relevant molecules are reported, employing variational quantum algorithms for near-term quantum devices. The energies and dipole…
Stochastic Resolution of Identity for Real-Time Second-Order Green's Function: Ionization Potential and Quasi-particle Spectrum
Wenjie Dou, Tyler Y. Takeshita, Ming Chen +3
We develop a stochastic resolution of identity approach to the real-time second-order Green's function (real-time sRI-GF2) theory, extending our recent work for imaginary-time Mats…
Increasing the representation accuracy of quantum simulations of chemistry without extra quantum resources
Tyler Takeshita, Nicholas C. Rubin, Zhang Jiang +3
Proposals for near-term experiments in quantum chemistry on quantum computers leverage the ability to target a subset of degrees of freedom containing the essential quantum behavio…
A Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory
Tyler Y. Takeshita, Wibe A. de Jong, Daniel Neuhauser +2
A stochastic orbital approach to the resolution of identity (RI) approximation for 4-index 2-electron electron repulsion integrals (ERIs) is presented. The stochastic RI-ERIs are t…
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
Norm M. Tubman, Joonho Lee, Tyler Y. Takeshita +2
Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction…