activity
20142023
most citedRecent developments in the PySCF program package

1.2k citations · 5.5k across the 46 of their papers we have counts for

collaborators
Showing 2021Show all

5 papers · 1 filter

quant-ph2021★ 181 cited

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…

quant-ph2021★ 1 cited

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…

quant-ph2021★ 170 cited

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…

quant-ph2021★ 73 cited

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…

quant-ph2021★ 158 cited

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…