December3 2025 Discussion

Discussion 3 December 2025

Code coupling strategies and phylosophy

Instructions for the discussion

Three papers to discuss:

• VENICE: A multi-scale operator-splitting algorithm for multi-physics simulations Wilhelm & Portegies Zwart 2024
• Time-dilation methods for extreme multiscale timestepping problems Hopkins & Most 2025
• Accelerating Ab Initio Quantum Mechanical and Molecular Mechanical (QM/MM) Molecular Dynamics Simulations with Multiple Time Step Integration and a Recalibrated Semiempirical QM/MM Hamiltonian Pan etal 2022