Practical exploration of quantum computational chemistry simulation in the field of batteries
Quantum computing technology offers acceleration potential for solving practical issues in the field of new energy, particularly in the simulation of complex battery materials. Concurrently, the rapid growth of emerging industries such as renewable energy and electric transportation has intensified...
Saved in:
| Main Authors: | , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | zho |
| Published: |
National Computer System Engineering Research Institute of China
2025-02-01
|
| Series: | Dianzi Jishu Yingyong |
| Subjects: | |
| Online Access: | http://www.chinaaet.com/article/3000170235 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | Quantum computing technology offers acceleration potential for solving practical issues in the field of new energy, particularly in the simulation of complex battery materials. Concurrently, the rapid growth of emerging industries such as renewable energy and electric transportation has intensified the need for efficient and precise calculations of battery material properties, which encounter difficulties for using traditional computing methods to solve these problems. Quantum computing provides novel insights for tackling these challenges. Initiating with the foundational computational principles，this paper delineates the commonly utilized quantum algorithms for simulating the chemical properties of battery materials. Additionally, a range of innovative software tools used in quantum simulations are thoroughly introduced, and application cases from various automotive companies are analyzed to elucidate the practical applications of quantum chemistry simulations in the field of batteries. Our work provides new insights and methodologies for battery material simulations, ground-state energy calculations, and performance optimization, with the potential to contribute to the optimized development of new energy battery materials. |
|---|---|
| ISSN: | 0258-7998 |