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Fullqubit alchemist: Quantum algorithm for alchemical free energy calculations
Po-Wei Huang, Gregory Boyd, Gian-Luca R. Anselmetti +11
Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design, but it is a daunting task. The need to sample vast conformational spa…
Efficient quantum algorithm for linear matrix differential equations and applications to open quantum systems
Sophia Simon, Dominic W. Berry, Rolando D. Somma
We present an efficient, nearly optimal quantum algorithm for solving linear matrix differential equations, with applications to the simulation of open quantum systems and beyond.…
Efficient Quantum Optimization via Dynamical Simulation
Ahmet Burak Catli, Sophia Simon, Nathan Wiebe
We provide several quantum algorithms for continuous optimization that do not require gradient estimation. Instead, we encode the optimization problem into the dynamics of a physic…
Dividing and Conquering the Van Vleck Catastrophe
Sophia Simon, Gian-Luca R. Anselmetti, Raffaele Santagati +4
The quantum-computational cost of determining ground state energies through quantum phase estimation depends on the overlap between an easily preparable initial state and the targe…