Accelerated molecular dynamics simulation method on a computing system
US12430484B2 · kind B2 · utility
Assignees
Inventors
Key dates
| Filing date | Nov 19, 2021 |
| Grant date | Sep 30, 2025 |
| Priority date | — |
| Expiry date | Aug 1, 2044 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B15/20
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A method of performing a computational process includes transforming, a first register of a quantum processor to a charge encoded state in which charges of interacting particles to be simulated are encoded, transforming a second register of the quantum processor to a position encoded state in which positions of the interacting particles are encoded, performing a first phase shift operation, including shifting a phase of the first and second registers by kinetic energies of the interacting particles, performing a second phase shift operation, including shifting the phase of the first and second registers by pair-wise Coulomb potential energies of the interacting particles, measuring the phase of the first and second registers, transmitting the measured phase of the first and second registers to a classical computer, and the measured phase including a sum of the kinetic energies and the pair-wise Coulomb potential energies of the interacting particles.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.