Feng Wang

5PUBLICATIONS
3CO-AUTHORS
Theoretical quantum chemistryBiomolecular modelling and designComputational chemistryAstroparticle physics and particle cosmology
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Publications (5)

|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

|Dec 31, 2020
Accurate MP2-based force fields predict hydration free energies for simple alkanes and alcohols in good agreement with experiments.

T Ryan Rogers, 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

|Mar 03, 2019
On approximating a weak Markovian process as Markovian: Are we justified when discarding longtime correlations.

Kai-Yang Leong, Feng Wang

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Frequent Collaborators

3 joint publications

Ying Yuan

1 joint publications

T Ryan Rogers

1 joint publications

Dong Zheng