## QAMUY

A quantum chemical calculating cloud service for quantum computers - translates the user friendly input of the chemistry calculation to state of the art quantum algorithms.

### Specializing in quantum chemistry calculations

Qamuy supports quantum chemistry calculations on a quantum computer simmilar to the conventional quantum chemistry softwares.

Qamuy supports the calculations of physical properties needed for quantum chemistry such as;

Energy, Energy derivative, Dipole moment, Oscillator strength, Non-adiabatic coupling, Vibrational analysis, Band structure, Geometry optimization

### Wide functionality

Qamuy has functions that are essential when executing a quantum chemistry calculation on a quantum computer.

Functions:

- Quantum algorithm
- Quantum circuit simulation
- Optimization of quantum circuit
- Running on real quantum computers
- Performance analyzation

### No need of expertise in Quantum

Qamuy translates the input of the quantum chemistry calculation into quantum algorithm, meaning you don't need knowledge of quantum algorithms to process the computation on the quantum computer.

## Research collaboration

Basic methods for quantum chemical calculations

In this joint research, we are developing basic methods for utilizing quantum computers for quantum chemical calculations and materials development, with the anticipation that a quantum computer of practical size and accuracy will be realized within a few years. Thus far, we have developed algorithms for more performant quantum chemical calculations (orbital optimized unitary-coupled cluster, OO-UCC)*1 and an algorithm for calculating energy in periodic systems*2, with these results being published in scientific journals.

※1:
Physical. Review Research 2, 033421 (2020)

※2:
Physical. Review Research 4, 013052 (2021)

Frequency analysis of the molecular vibrations

Frequency analysis of the molecular vibrations is a fundamental method of chemical analysis, and is used as a spectrum of evaluating the mechanism of chemical reactions.

It especially holds a prominent position among the energy field, such as analyzing catalytic reactions of petroleum refinement and Hydrogen production, and reaction analysis of oil additive from lubricant oils.

However, frequency analysis were difficult to process on classic computers and were behind on industrial application. The ENEOS Group and QunaSys has collaborated to approach this challenge by working on the development of quantum algorithms, and verified on the actual Honeywell quantum computer.

Quantum dynamics simulation

Quantum dynamics simulations are a method that allow for more accurately describing natural phenomena by taking into account the quantum effects of nuclei and non-adiabatic effects, which are couplings between electrons and nuclei.

In this joint research, we are working on the development of algorithms for realizing quantum dynamics simulations on quantum computers. When the scale and accuracy of real quantum computers improves in the future, we are able to use the algorithms developed in this joint research to design functional materials that can handle non-adiabatic effects, something difficult to incorporate thus far. This is expected to change the way materials design works, particularly in areas such functional optical materials and catalyst design.

## QPARC / A consortium for businesses using quantum computers

"QPARC" is a consortium for businesses that are actively using quantum computers.

It provides lectures as well as programming exercises to deepen the participants' knowledge of quantum computing hardware and algorithms. It also works on discovery of indestrial relvant usecases by applying the algorithms we have learned on actual chemistry problems and jointly study how quantum computers can be utilized.

## Research grant projects

This program focuses on acceleration of the processing speed of softwares

QunaSys is in charge of the interface development for the NISQ and FTQC devices, which is where Qamuy is undergoing development.

Project members;

• Waseda University

• Keio University

• Fixstars Corporation

• QunaSys Inc.

→ Cross-ministerial Strategic Innovatation Promotion Program (SIP)

This program focuses on training in the quantum technology field, as well as the development of quantum softwares.

QunaSys supports this by offering knowledge and skillsets on managing consortiums, as well as supporting technology development for the chemistry field of R&D issues.

Project members;

• Osaka University

• TOYOTA TSUSHO Corporation

• QunaSys Inc.

This is a research and development program geared at achieving the (Quantum leap) by making full use of quantum science and technology (photon and quantum solutions) to solve important economic and social issues.

QunaSys participate as an external business cooperation in two programs working in the field of quantum information processing. The work done there is aimed at hardware development of superconducting quantum computers and quantum software development.

## Community Services Runned by QunaSys

The beginner’s guide to quantum computing

Quantum Native Dojo is a self-study material for training Quantum Natives, who aspire to be researchers or engineers of the quantum technology.

It covers a wide area including the basic operating principles, algorithms, as well as explanations on how to solve more advanced chemical and financial calculations.

Quantum Circuit Simulator

Qulacs is a high-speed Quantum Circuit Simulator for Quantum computing research. It balances its high-speed process and practicality by implementing the library written in C++ through an interface in Python.

Simulations on classical computers are essential for algorithm development on quantum computers. QuanSys uses Qulacs for our algorithm developments.

Qulacs was developed at the Fujii Laboratory in Osaka University, and QunaSys supports the maintenance and developing new features. We are open to people interested in joining the Qulacs community through its Community Slack, R&D using Qulacs, and proposals of new features for Qulacs on GitHub.

Benchmarking website for quantum algorithms

Quantaggle is a site with the benchmark results that were consolidated based on standardized statistical data sets.

In order to devlop a faster, higher accuracy quantum chemical calculation, we need to examine the combinations of these algorithms, and Quantaggle can help.

Quantum computing technology blog

Blogs about quantum algorithm developments written by QunaSys engineer and researchers.