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4 presentations in the international conference on computational materials science "2022 Psi-k"

The 6th Psi-k* Conference was held at the SwissTech Convention Center in Lausanne, Switzerland from August 22 to 25, 2022, and four Quemix members attended. It is an international conference on materials computation where researchers from various countries gather to exchange information on a global scale.

At this year's conference, there were many reports of research results applying machine learning to various viewpoints related to materials (batteries, magnets, superconductivity, phonons, energy, etc.), but there were also reports of research related to quantum computation, although still small in number, and a lively exchange of information took place.

Quemix presented three papers on quantum computation and one on materials computation using classical computation.

Three presentations on quantum computation:

Quantum computation of electronic properties with generic nonunitary operators

Implementation of imaginary-time evolution method on quantum computer: application to Ising Hamiltonian

Imaginary-time evolution using forward and backward real-time evolution with a single ancilla: First-quantized eigensolver

One material calculation using classical computation:

Anisotropic magnetocaloric effect of CrI3 by using first-principles calculations and Monte Carlo simulations

During the presentations, discussions were held not only on technical aspects but also on collaboration with researchers from overseas quantum algorithm software companies, which showed the high expectations for the practical application of the research results.

Quemix has been conducting research on advanced materials computation methods using classical computers as well as quantum computers. We expect that the next Psi-K will be very exciting with more research reports on quantum algorithms, and Quemix will continue to expand its research and presence.

*Psi-k: a European-based network of highly specialized researchers working in advanced materials science using first-principles calculations. Based on theoretical physics, quantum chemistry, thermodynamics, and statistical mechanics, Psi k develops fundamental theories, algorithms, and computer codes to understand, predict, and design the properties and functions of materials, covering a wide range of scientific, industrial, and industrial fields, including organic, inorganic, and biomaterials. The scope of our research covers a wide range of scientific, industrial, and industrial fields, including organic, inorganic, and biological materials.



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