Quantum algorithm for molecular properties and geometry optimization

Quantum algorithm for molecular properties and geometry optimization.

Quantum computers, if available, could substantially accelerate quantum simulations. We extend this result to show that the computation of molecular properties (energy derivatives) could also be sped up using quantum computers. We provide a quantum algorithm for the numerical evaluation of molecular properties, whose time cost is a constant multiple of the time needed to compute the molecular e...

Optimization of Quantum Cellular Automata Circuits by Genetic Algorithm

Quantum cellular automata (QCA) enables performing arithmetic and logic operations at the molecular scale. This nanotechnology promises high device density, low power consumption and high computational power. Unlike the CMOS technology where the ON and OFF states of the transistors represent binary information, in QCA, data is represented by the charge configuration. The primary and basic devic...

BQIABC: A new Quantum-Inspired Artificial Bee Colony Algorithm for Binary Optimization Problems

Artificial bee colony (ABC) algorithm is a swarm intelligence optimization algorithm inspired by the intelligent behavior of honey bees when searching for food sources. The various versions of the ABC algorithm have been widely used to solve continuous and discrete optimization problems in different fields. In this paper a new binary version of the ABC algorithm inspired by quantum computing, c...

Quantum Algorithm for Continuous Global Optimization

We investigate the entwined roles of information and quantum algorithms in reducing the complexity of the global optimization problem (GOP). We show that: (i) a modest amount of additional information is su±cient to map the general continuous GOP into the (discrete) Grover problem; (ii) while this additional information is actually available in some classes of GOPs, it cannot be taken advantage...

Efficient geometry optimization of molecular clusters