CHBC Faculty Publications

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Author: Ma, Zhonghua

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TitlePublication NamePub. TypeYear
Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine PolypeptideJournal of Physical Chemistry BJournal Article2021
Leveraging local MP2 to reduce basis set superposition errors: An efficient first-principles based force-field for carbon dioxideJournal of Chemical PhysicsJournal Article2019
On the transferability of three water models developed by adaptive force, e-Print Archive, PhysicsJournal Article2015
Continuous and Discontinuous Dynamic Crossover in Supercooled Water in Computer SimulationsJournal of Physical Chemistry LettersJournal Article2015
On the Transferability of Three Water Models Developed by Adaptive Force MatchingAnnual Reports in Computational ChemistryBook Section2014
Ab Initio Molecular Dynamics Study of the Aqueous HOO- IonJournal of Physical Chemistry BJournal Article2014