2 papers
cs.LG2025
Accelerating Long-Term Molecular Dynamics with Physics-Informed Time-Series Forecasting
Hung Le, Sherif Abbas, Minh Hoang Nguyen +3
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) meth…
cs.AI2025
CausalPlan: Empowering Efficient LLM Multi-Agent Collaboration Through Causality-Driven Planning
Minh Hoang Nguyen, Van Dai Do, Dung Nguyen +2
Large language model (LLM) agents-especially smaller, open-source models-often produce causally invalid or incoherent actions in collaborative tasks due to their reliance on surfac…