Descripción del proyecto
Aprovechamiento de los ordenadores cuánticos actuales y futuros para los problemas de la química cuántica
Hace unos años se propuso el término «cuántica de escala intermedia ruidosa» (NISQ, por sus siglas en inglés). Se refiere a dispositivos con un número intermedio de cúbits (de cincuenta a unos cientos) cuyas puertas cuánticas ruidosas impiden alcanzar la tolerancia a los fallos, lo cual limita el tamaño de los circuitos cuánticos que pueden ejecutar cálculos de forma fiable. Son un paso en el camino hacia la computación cuántica totalmente tolerante a fallos con millones de cúbits. El equipo del proyecto QC-SQUARED, que cuenta con el apoyo de las Acciones Marie Skłodowska-Curie, demostrará que los cálculos de química cuántica pueden beneficiarse de este «hardware» NISQ con respecto a la computación clásica. El equipo desarrollará métodos y algoritmos que permitan obtener estas ventajas, allanando así el camino para la explotación de tecnologías NISQ ya existentes.
Objetivo
Quantum computing has the potential to provide an exponential speedup
compared to classical computers, but the practical implementation is still in its infancy.
Two central questions are:
(1) in which field the current noisy intermediate-scale quantum (NISQ) hardware
can provide benefits compared to classical computers and
(2) which methods and algorithms enable this advantage?
The aim of this project is to answer these questions by enabling
accurate and efficient Quantum Chemistry calculations on current and near-term Quantum Computers
for relevant chemical and physical problems.
This paves the road to simulate strongly correlated electron systems of
high scientific and economical interest, where
accurate approaches are needed to understand groundbreaking chemical and physical phenomena,
like high-temperature superconductivity, photosynthesis or nitrogen fixation.
It will be achieved by developing and implementing novel quantum algorithms
based on the combination of the transcorrelated (TC) method
and a complete active space self-consistent field (CASSCF) embedding approach.
The TC method will reduce the necessary quantum resources by
providing accurate results for a small strongly correlated region already with small basis sets.
While CASSCF will allow to target more realistic systems by embedding the
correlated region self-consistently in a larger environment, which is efficiently described
by inexpensive mean-field approaches.
This project has the potential to go beyond the state-of-the-art by:
(a) pushing the boundaries of currently possible quantum chemical calculations,
allowing further theoretical understanding and practical design of quantum materials
and (b) pave the road toward scientific and economical relevance of quantum computing
already in the NISQ era.
Ámbito científico
- natural scienceschemical sciencesphysical chemistryquantum chemistry
- engineering and technologyelectrical engineering, electronic engineering, information engineeringelectronic engineeringcomputer hardwarequantum computers
- natural sciencesbiological sciencesbotany
- natural sciencesphysical scienceselectromagnetism and electronicssuperconductivity
Palabras clave
Programa(s)
- HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA) Main Programme
Régimen de financiación
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European FellowshipsCoordinador
412 96 GOTEBORG
Suecia