A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods (Workshop on Computational Materials Science)Nov 15, 2021·Yangshuai WangconferencesLast updated on Nov 15, 2021 AuthorsYangshuai WangPeng Tsu Ann Assistant Professor (Visiting Fellow) ← Error Propagation of Machine-Learned Interatomic Potentials (MLIPs) (Machine-learned Interatomic Potentials Mini-workshop) May 12, 2022The Applications of Data-Driven Interatomic Potentials to QM/MM Coupling Methods (International Workshop on Mathematical Theory, Methods and Application in Materials Simulation) Apr 11, 2021 →
