139 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Xiamen UniversityCN14 papers
- Fujian Normal UniversityCN8 papers
- Collaborative Innovation Center of Chemistry for Energy MaterialsCN6 papers
- Chinese Academy of SciencesCN4 papers
- Fuzhou UniversityCN4 papers
- Anhui UniversityCN2 papers
- Dalian University of TechnologyCN2 papers
- Fujian Institute of Research on the Structure of MatterCN2 papers
- Fujian Science and Technology Innovation Laboratory for Optoelectronic Information of ChinaCN2 papers
- Institute of Applied Physics and Computational MathematicsCN2 papers
- Institute of Technology of CambodiaKH2 papers
- National University of SingaporeSG2 papers
7 papers · 1 filter
TXL Fusion: A Hybrid Machine Learning Framework Integrating Chemical Heuristics and Large Language Models for Topological Materials Discovery
Arif Ullah, Rajibul Islam, Yangming Huang +4
Topological materials, including topological insulators (TIs) and topological semimetals (TSMs), offer promising platforms for quantum, spintronic, and low-dissipation electronic t…
Gravity-Induced Modulation of Negative Differential Thermal Resistance in Fluids
Qiyuan Zhang, Juncheng Guo, Juchang Zou +1
We investigate how gravity influences negative differential thermal resistance (NDTR) in fluids modeled by multiparticle collision dynamics. In the integrable case, we derive the h…
Machine Learning Accelerated Computational Surface-Specific Vibrational Spectroscopy Reveals Oxidation Level of Graphene in Contact with Water
Xianglong Du, Jun Cheng, Fujie Tang
Precise characterization of the graphene/water interface has been hindered by experimental inconsistencies and limited molecular-level access to interfacial structures. In this wor…
Hierarchical graph sampling based minibatch learning with chain preservation and variance reduction
Qia Hu, Bo Jiao
Graph sampling-based Graph Convolutional Networks (GCNs) decouple sampling from forward and backward propagation during minibatch training, enhancing scalability with respect to la…
Hartree-Fock approximation for bosons with symmetry-adapted variational wave functions
B. R. Que, J. M. Zhang, H. F. Song +1
The Hartree-Fock approximation for bosons employs variational wave functions that are a combination of permanents. These are bosonic counterpart of the fermionic Slater determinant…
Stabilizing Single-Atom Catalysts on Metastable Phases of Transition Metal Dichalcogenides
Lina Wang, Zhenhai Wen, Guangfu Luo
Single-atom catalysts have attracted significant attention due to their exceptional atomic utilization and high efficiency in a range of catalytic reactions. However, these systems…
Decoding the Competing Effects of Dynamic Solvation Structures on Nuclear Magnetic Resonance Chemical Shifts of Battery Electrolytes via Machine Learning
Qi You, Yan Sun, Feng Wang +2
Understanding the solvation structure of electrolytes is critical for optimizing the electrochemical performance of rechargeable batteries, as it directly influences properties suc…