1. Introduction to the Project

1.1 Introduction to technical achievements

The technical achievements of the project can be searched or determined based solely on the chemical composition and external conditions (such as pressure) of the substance, and the structural design of functional materials (such as superhard materials) can be carried out according to functional requirements. The crystal structure is the foundation for the deep understanding of the macroscopic physical and chemical properties of materials and the development of new material design. The development of material crystal structure prediction methods and software based solely on chemical components can not only solve crystal structure problems in combination with experiments, but also conduct material prediction before experiments, guide the experimental synthesis of new materials, and achieve the commercialization in the research and development mode of new materials.

1.2 Technical analysis and advantages

The technical team of the project has for the first time introduced the particle swarm optimization algorithm into the field of crystal structure calculation, solving the efficient calculation of the lowest energy state (most stable material structure) of the potential energy surface, and achieving the localization of the material structure design software. CALYPSO has been widely used in the design of materials such as superconductivity, superhard, batteries, photovoltaics, hotspots, catalysis, and nanomaterials. Among them, more than 100 materials have been synthesized in experiments, which have created a record of current superconducting temperature changes and promoted the development of different material research and development fields.

1.3 Main products and applications of technical achievements

One of the products of this project is the commercial version authorization of CALYPSO software, which is used for material design research in universities, research institutes, and enterprises worldwide. The other part of the products in this project is software computing services, belonging to the supercomputing center, which provides users with computing power services for material design research.

1.4 Technical achievement commercialization and market promotion

1.4.1 Stage of technological achievements

It has entered the pilot stage.

1.4.2 Technical achievement marketing promotion plan

(1) Establishing a technology demonstration platform: By building an online demonstration platform, it provides potential users with technical demonstrations and experiences of CALYPSO software, allowing users to intuitively understand the advantages and application scenarios of CALYPSO methods and technologies.

(2) Conducting online and offline training: It organizes online or offline training courses for different user groups to teach users how to use CALYPSO software for material design and optimization, and improve their usage skills.

(3) Establishing cooperation demonstration projects: It establishes strategic partnerships with influential enterprises and research institutions in the industry, jointly carrying out application demonstration projects of CALYPSO methods and technologies, and demonstrating their actual effects and value.

(4) Actively participating in industry activities: Participate in academic conferences, exhibitions, and other related fields such as materials science and computational chemistry, and showcase the latest progress and application achievements of CALYPSO methods and technologies to industry experts and potential users.

1.5 Technical team

The material design method and software team of Jilin University has a total of 12 members. The technical consultant is Professor Ma Yanming of Jilin University, an academician of Chinese Academy of Sciences. He is currently the Vice President of Jilin University. He has won the National Science Fund for Distinguished Young Scholars, the title of National Excellent Scientific and Technological Worker, the Chinese Youth Science and Technology Award, the Special Award of Jilin Youth Science and Technology Award, the Jamieson Award of the International High-pressure Science and Technology Association, the Walter Kohn Award of the Italian International Center for Theoretical Physics, etc. He discovered the inverse Wilson transition of sodium from metal to insulator under the high pressure, established a crystal structure prediction method, and developed a set of CALYPSO (Crystal Structural AnaLYsis by Particle Swarm Optimization) calculation software. Currently, CALYPSO has become an internationally recognized scientific software in this field, used by more than 2900 researchers from over 70 countries. The team members include 4 national talents and 4 national level young talents. Relying on the State Key Laboratory - Material Simulation Methods and Software – the Ultra-hard Materials Laboratory of Jilin University and the Ministry of Education, the team has been engaged in the research of material calculation methods and software for more than 20 years, and it is in an international leading position in the field of material design methods. It has successively undertaken and participated in key special projects such as “High-performance Computing”, “Material Genetic Engineering”, and “State Regulation” of the Ministry of Science and Technology, as well as major and key projects of the National Natural Science Foundation of China, with a cumulative budget of over 100 million yuan.

2. Market Potential Analysis

The commercial version of CALYPSO, one of the products of this project is authorized. This software can not only conduct structural research on three-dimensional crystals, but also conduct structural research on two-dimensional layered materials, two-dimensional surface reconstruction, and zero dimensional clusters. In the future, it can also conduct research on the hot topics with other rich structural phenomena (such as interfaces, transition states, chemical reactions, etc.), targeting the industrial software market. The global industrial software market is expected to exceed 500 billion US dollars in 2023. The product of this project belongs to the design and development software in the industrial software market, which accounts for about 12%.

The other part of this project’s products are software computing services, targeting the supercomputing service market. In recent years, in order to enhance China’s computing power level and improve the layout of data centers, the country has issued a series of policies, including the implementation of the “National Computing Network to Synergize East and West” Project and the release of the “14th Five-Year Plan” for the Development of the Information and Communication Industry. In November, 2021, the Ministry of Industry and Information Technology issued the “14th Five-Year Plan” for the Development of the Information and Communication Industry, which stated that by 2025, China’s data center computing power will have increased from 900 billion floating-point operations per second in 2020 to 3 trillion floating-point operations per second, with an average annual increase of 27%. Under policy promotion, the Chinese supercomputing service market will radiate the greater development vitality.

From 2016 to 2021, the size of China’s supercomputing service market continued to rise, increasing from 6.51 billion yuan in 2016 to 19.66 billion yuan in 2021, approaching 20 billion yuan, with a compound growth rate of 24.7%.

In 2022, the size of China’s supercomputing service market was approximately 24.4 billion yuan, with a growth rate of 24.5%. At present, supercomputing is providing computing power services to key industries in China through advanced electronic technology, computing services, software applications, and other means. The construction of the supercomputing industry ecosystem will play a substantive role in promoting the adjustment, upgrading, and transformation of related industries in the supercomputing application field. It is expected that the market size will continue to expand in the future.

3. Financing Needs and Financing Purposes

The project is planned to raise 5 million yuan, mainly for purchasing high-performance computing cluster equipment, product research and development, software procurement, and supplementing working capital.

4. Analysis of Technical Achievements and Benefits

4.1 Economic benefits

The market value of the technical achievements of the project is 85 million yuan.

4.2 Social benefits

The commercialization of the technological achievements will promote the research and development of new materials: the application of CALYPSO material design method and software technology can accelerate the research and development process of new materials, improve the performance of new materials, and provide strong technical support for the research and development of new materials in China. It will promote industrial structure upgrading and enhance industrial competitiveness. It will improve the energy utilization efficiency, achieve the widespread application of new materials in the energy field, and contribute to the development of China’s energy industry.

5. Contact Method:

Contact person: Ma Yanming

Tel: 18946761831