As the foundation and precursor of modern science and technology, materials science isan internationally recognized core field. Materials science is intertwined with nationaleconomy, engineering and technology, and national security, which is critical to thenational economic and social development. Developed countries have prioritized novelmaterials as a key area in the development of science and technology to maintain theireconomic and technological leadership.
The invention and application of new materials are milestones of humancivilization, and the development of materials science has contributed to theadvancement of human society and civilization. People have long expected a newparadigm of materials engineering to guide the search for new materials, i.e., topredict material properties based on known scientific laws or to design and preparenew materials with specific functions according to the properties required, therebyshortening new materials' development cycles. So far, to develop new materials,scientists have mastered the correlations between macroscopic properties and structures(molecular and spatial structures) of materials, further explored the intrinsic laws, andsystematically discussed such relationship based on quantum and structural chemistry.

Chapter 1 Project Overview
1.1 Introduction
1.1.1 Overall Arrangement
1.1.2 Overview of Program Implementation
1.1.3 Interdisciplinary Efforts
1.2 Research Circumstances
1.2.1 Overall Scientific Objectives
1.2.2 Key Scientific Issues
1.3 Significant Progress
Chapter 2 Research in China and Abroad
2.1 Research Status and Development Trend
2.1.1 Research Status and Development Trend of Optoelectronic Functional Crystals
2.1.2 Research Status and Development Trend of Molecular Ferroelectrics
2.1.3 Research Status and Development Trend of Molecular Magnetics
2.1.4 Research Status and Development Trend of Superconducting Materials
2.1.5 Research Status and Development Trend of Thermoelectric Materials
2.2 Development Trends of Functional Crystalline Materials
2.2.1 Developments in Laser Crystals and Nonlinear Optical Crystals
2.2.2 Development Trend of Molecular Ferroelectrics
2.2.3 Development Trend of Molecular Magnets
2.2.4 Development Trend of Metal-Organic Framework Materials
2.2.5 Development Trend of Superconducting Materials
2.2.6 Trends in Thermoelectric Materials
Chapter 3 Major Research Achievements
3.1 Structural Designing and Modulation of Magnetic Functional Molecular Crystalline Materials
3.1.1 Ground-State Spin and Uniaxial Magnetic Anisotropy Modulation of Single-Molecule Magnets
3.1.2 Metal-Organic Single-Ion Magnets
3.1.3 Assembly Based on High-Performance Single-Ion Magnet Substrates
3.1.4 Nuclear Spin Strategy for Suppressing Magnetic Quantum Tunneling Effect
3.2 Design, Synthesis, and Performance of High-Performance Molecular Ferroelectrics
3.2.1 Molecular Ferroelectrics with High Curie Temperature, Large Saturation Polarization
3.2.2 Molecular Ferroelectrics with Large Piezoelectric Coefficients
3.2.3 Homochiral Molecular Ferroelectrics
3.2.4 Molecular Ferroelectrics with Semiconductor Properties
3.2.5 New Strategies for Precise Design of Molecular Ferroelectrics
3.2.6 Photoferroelectric Semiconductor Crystalline Materials for Next-Generation Photoelectric Detection Technology
3.2.7 DiscoveryofMolecule-Based Ferroelectric Crystalline Materials with Fast Polarization Reversals
3.2.8 Discovery of Incommensurate Structure Modulated Molecular Ferroelectric Crystals
3.3 Laser Crystals and Nonlinear Optical Crystals
3.3.1 Research on the Structure-Property Relationships of Nonlinear Optical Crystals
3.3.2 New Deep-Ultraviolet Nonlinear Optical Crystals
3.3.3 Infrared Nonlinear Optical Crystal
3.3.4 Laser Crystals and Transparent Ceramics
3.4 New Electron-Doped Iron-Selenium-Based Superconductors
3.4.1 First Discovery of Electron-Doped Iron-Selenium-Based Superconductors
3.4.2 First Discovery of Molecular Intercalation Series of Iron-Selenium- Based High-Temperature Superconductors
3.4.3 True Composition and Structure of Superconducting Phases in the K-Fe-Se System
3.4.4 First Anderson Localization in the Single-Crystal Electron System
3.4.5 Regulation of Superconductivity in "l-hin-Layered Iron-Selenium (FeSe) Single-Crystals
3.5 Other Novel Crystalline Materials
3.5.1 Metal-Organic Framework Isoporous Materials
3.5.2 2D Crystalline Materials
Chapter 4 Outlook
4.1 Strategic Needs
4.2 Conceptions and Suggestions
References
Index