A quantum algorithm for alchemical free energy calculations that block-encodes the Liouvillian to simulate molecular dynamics with polylogarithmic precision scaling, avoiding entropy estimation.
Quantum CORDIC -- Arcsine on a Budget
1 Pith paper cite this work. Polarity classification is still indexing.
abstract
This work introduces a quantum algorithm for computing the function arcsine, with arbitrary accuracy. We leverage a technique from embedded computing and field-programmable gate arrays, called COordinate Rotation DIgital Computer (CORDIC). CORDIC is a family of iterative algorithms that, in a classical context, can approximate various trigonometric, hyperbolic, and elementary functions using only bit shifts and additions. Adapting CORDIC to the quantum context is non-trivial, as the algorithm traditionally uses several non-reversible operations. We detail a method for CORDIC that avoids such non-reversible operations. We propose an approach to calculate the arcsine function reversibly with CORDIC. For n bits of precision, our method has space complexity of order n qubits, a layer count in the order of n times log n, and a CNOT count in the order of n squared. This primitive function is a required step for the Harrow-Hassidim-Lloyd (HHL) algorithm, is necessary for quantum digital-to-analog conversion, can simplify a quantum speed-up for Monte-Carlo methods, and has direct applications in the quantum estimation of Shapley values.
citation-role summary
citation-polarity summary
fields
quant-ph 1years
2025 1verdicts
CONDITIONAL 1roles
background 1polarities
unclear 1representative citing papers
citing papers explorer
-
Fullqubit alchemist: Quantum algorithm for alchemical free energy calculations
A quantum algorithm for alchemical free energy calculations that block-encodes the Liouvillian to simulate molecular dynamics with polylogarithmic precision scaling, avoiding entropy estimation.