A paper by Quemix has been published in the Journal of the Physical Society of Japan.
In this study, we tackled the crystal structure problem (CSP) using a combination of factorization machines and quantum annealing (FMQA). CSP aims to optimally arrange atoms based on the chemical composition of materials. We examined the capability of FMQA to efficiently sample optimal crystal configurations by minimizing energy under different potentials. Additionally, we evaluated the extent to which it can learn the energy of various metastable structures. This approach offers a novel solution to the challenge of crystal structure determination in materials science and is expected to enhance the potential of quantum computing methods for material discovery.
