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Ying Yuan

4PUBLICATIONS

2CO-AUTHORS

Theoretical quantum chemistryBiomolecular modelling and designTransport properties and non-equilibrium processes

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Publications (4)

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|Sep 09, 2021

A comparison of three DFT exchange-correlation functionals and two basis sets for the prediction of the conformation distribution of hydrated polyglycine.

Ying Yuan, Feng Wang

|Mar 16, 2021

Determining the hydration free energies of selected small molecules with MP2 and local MP2 through adaptive force matching.

Dong Zheng, Ying Yuan, Feng Wang

|Nov 17, 2019

Leveraging local MP2 to reduce basis set superposition errors: An efficient first-principles based force-field for carbon dioxide.

Ying Yuan, Zhonghua Ma, Feng Wang

|May 17, 2018

The strengths and limitations of effective centroid force models explored by studying isotopic effects in liquid water.

Ying Yuan, Jicun Li, Xin-Zheng Li

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Frequent Collaborators

3 joint publications

Feng Wang

1 joint publications

Dong Zheng

Frequent Collaborators

3 joint publications

Feng Wang

1 joint publications

Dong Zheng

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