Resolving the Mechanisms of Ca and Mg Carbonate Ion-Pair Formation with Multi-Level Molecular Dynamics/Quantum Mechanics Simulations

Mark DelloStritto and Michael Klein, submitted to Journal of Chemical Physics

Pablo M. Piaggi, Roberto Car, Frank H. Stillinger, Pablo G. Debenedetti, submitted to J Chem Phys 2023

Pinchen Xie, Roberto Car, Weinan E., submitted to Proc. Nat. Acad. Sci. 2023, arXiv preprint arXiv:2211.06558    

Amartya Bose, preprint https://arxiv.org/abs/2205.15072 (2022)