Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations

Jihan Kim, Li-Chiang Lin, Kyuho Lee, Jeffrey B. Neaton, Berend Smit

Research output: Contribution to journalArticlepeer-review

18 Scopus citations
Original languageEnglish (US)
Pages (from-to)2693-2701
Number of pages9
JournalJournal of Physical Chemistry C
Issue number5
StatePublished - 2014

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