个人信息Personal Information
特任研究员
博士生导师
电子邮箱：
学历：研究生(博士后)
办公地点：中国科学技术大学东区物质科研楼B1405室
学位：博士
学科：化学
物理学
数学
计算机科学与技术
- 2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT.SC'22: Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis 5, 1-13 (2022) [ACM Gordon Bell Finalist],
- High-Throughput Inverse Design for 2D Ferroelectric Rashba Semiconductors.Journal of the American Chemical Society, 144, 20035 (2022).,
- High-Throughput Screening of Rattling-Induced Ultralow Lattice Thermal Conductivity in Semiconductors.ournal of the American Chemical Society, 144, 4448 (2022).,
- Designing Two-Dimensional Versatile Room-Temperature Ferromagnets via Assembling Large-Scale Magnetic Quantum Dots.Nano Letters, 21, 9816 (2021).,
- High Performance Computing of DGDFT for Tens of Thousands of Atoms using Millions of Cores on Sunway TaihuLight.Science Bulletin, 66, 111 (2021).,
- Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure.Nano Letters, 21, 740 (2020).,
- Accelerating Excitation Energy Computation in Molecules and Solids within Linear-Response Time-Dependent Density Functional Theory via Interpolative Separable Density Fitting Decomposition.Journal of Chemical Theory and Computation, 16, 964 (2020).,
- Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation with Applications to Hybrid Functional Electronic Structure Calculations.Journal of Chemical Theory and Computation, 14, 1311 (2018).,
- Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.Journal of the American Chemical Society, 139, 15429 (2017).,
- Edge-Modified Phosphorene Nanoflake Heterojunctions as Highly Efficient Solar Cells.Nano Letters, 16, 1675 (2016).,
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