activity
20172022
most citedNWChem: Past, Present, and Future

699 citations · 783 across the 10 of their papers we have counts for

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Showing 2020Show all

5 papers · 1 filter

quant-ph20203 cited

TILT: Achieving Higher Fidelity on a Trapped-Ion Linear-Tape Quantum Computing Architecture

Xin-Chuan Wu, Dripto M. Debroy, Yongshan Ding +4

Trapped-ion qubits are a leading technology for practical quantum computing. In this work, we present an architectural analysis of a linear-tape architecture for trapped ions. In o…

quant-ph2020

Impacts of Noise and Structure on Quantum Information Encoded in a Quantum Memory

Matthew Otten, Keshav Kapoor, A. Barış Özgüler +4

As larger, higher-quality quantum devices are built and demonstrated in quantum information applications, such as quantum computation and quantum communication, the need for high-q…

physics.chem-ph2020

Ab Initio Molecular Dynamics on Quantum Computers

Dmitry A. Fedorov, Matthew J. Otten, Stephen K. Gray +1

Ab initio molecular dynamics (AIMD) is a valuable technique for studying molecules and materials at finite temperatures where the nuclei evolve on potential energy surfaces obtaine…

quant-ph202030 cited

Quantum Divide and Compute: Hardware Demonstrations and Noisy Simulations

Thomas Ayral, François-Marie Le Régent, Zain Saleem +2

Noisy, intermediate-scale quantum computers come with intrinsic limitations in terms of the number of qubits (circuit "width") and decoherence time (circuit "depth") they can have.…

physics.chem-ph2020699 cited

NWChem: Past, Present, and Future

E. Aprà, E. J. Bylaska, W. A. de Jong +111

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…