699 citations · 704 across the 2 of their papers we have counts for
4 papers
Efficient algorithm for generating Pauli coordinates for an arbitrary linear operator
Daniel Gunlycke, Mark C. Palenik, Alex R. Emmert +1
Several linear algebra routines for quantum computing use a basis of tensor products of identity and Pauli operators to describe linear operators, and obtaining the coordinates for…
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…
Symmetry Configuration Mapping for Representing Quantum Systems on Quantum Computers
Sean A. Fischer, Daniel Gunlycke
Quantum computing has the potential to significantly speed up complex computational tasks, and arguably the most promising application area for near-term quantum computers is the s…
Correlated Dynamics in Aqueous Proton Diffusion
Sean A. Fischer, Brett I. Dunlap, Daniel Gunlycke
The aqueous proton displays an anomalously large diffusion coefficient that is up to 7 times that of similarly sized cations. There is general consensus that the proton achieves it…