CHBC Faculty Publications
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Author: Ma, Zhonghua
Title | Publication Name | Pub. Type | Year |
---|---|---|---|
Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine Polypeptide | Journal of Physical Chemistry B | Journal Article | 2021 |
Leveraging local MP2 to reduce basis set superposition errors: An efficient first-principles based force-field for carbon dioxide | Journal of Chemical Physics | Journal Article | 2019 |
On the transferability of three water models developed by adaptive force matching | arXiv.org, e-Print Archive, Physics | Journal Article | 2015 |
Continuous and Discontinuous Dynamic Crossover in Supercooled Water in Computer Simulations | Journal of Physical Chemistry Letters | Journal Article | 2015 |
On the Transferability of Three Water Models Developed by Adaptive Force Matching | Annual Reports in Computational Chemistry | Book Section | 2014 |
Ab Initio Molecular Dynamics Study of the Aqueous HOO- Ion | Journal of Physical Chemistry B | Journal Article | 2014 |