Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory.
Mato J, Duster AW, Guidez EB, Lin H. Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory. J Chem Theory Comput. 2021 Sep 14; 17(9):5456-5465.