3 papers
physics.chem-ph2026
Reaction-Transformation-Aware Flow Matching for Generalizable Transition State Generation
Kaipeng Zeng, Wenxi Zhai, Shengrui Xu +5
Transition-state (TS) structures define the energetic barriers and mechanistic pathways of elementary chemical reactions, yet their identification remains computationally demanding…
cs.AI2025
Where Paths Collide: A Comprehensive Survey of Classic and Learning-Based Multi-Agent Pathfinding
Shiyue Wang, Haozheng Xu, Yuhan Zhang +4
Multi-Agent Path Finding (MAPF) is a fundamental problem in artificial intelligence and robotics, requiring the computation of collision-free paths for multiple agents navigating f…
quant-ph2024
Application of the Quantum Approximate Optimization Algorithm in Solving the Total Domination Problem
Haoqian Pan, Hang Yuan, Yang Liu +3
Recent advancements in quantum computing have spurred substantial research into the application of quantum algorithms to combinatorial optimization problems. Among these challenges…