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20142020
most citedRapid Evolution of the Photosystem II Electronic Structure during Water Splitting

38 citations · 58 across the 9 of their papers we have counts for

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Showing 2020Show all

2 papers · 1 filter

quant-ph2020★ 5 cited

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…

physics.chem-ph2020★ 3 cited

Initial estimate for minimum energy pathways and transition states using velocities in internal coordinates

Mark C Palenik

Many algorithms for finding reaction pathways require an initial estimate of the minimum energy path (MEP). Most estimation methods use a variational approach and thus must be seed…