Water Interactions with Nanoporous Silica: Comparison of ReaxFF and ab Initio based Molecular Dynamics Simulations

J. M. Rimsza, Jejoon Yeon, A. C.T. Van Duin, Jincheng Du

Research output: Contribution to journalArticlepeer-review

71 Scopus citations

Fingerprint

Dive into the research topics of 'Water Interactions with Nanoporous Silica: Comparison of ReaxFF and ab Initio based Molecular Dynamics Simulations'. Together they form a unique fingerprint.

Engineering & Materials Science

Physics & Astronomy

Chemical Compounds