Dr. ZHANG Jin (Postdoc)



B.Sc. Zhejiang University, 2010.  Ph.D. Zhejiang University, 2017, supervised by Prof. Qi Wang, Prof. Tao Wu and Prof. David van der Spoel. Research scientist, Xtalpi Inc., 2018-2019

Her research interests mainly include solvation theory and model, and applying multiscale computational methods to study solvation effect in organic and enzymatic reactions.  She also interested in binding free energy prediction, and force field development.


  1. Selected publications:

    1. Jin Zhang, Haiyang Zhang, Tao Wu, Qi Wang*, David van der Spoel*: Comparison of implicit and explicit solvent models for the calculation of solvation free energy in organic solvents. Chem. Theory Comput., 2017, 13(3), pp 1034-1043.
    2. Jin Zhang, Badamkhatan Tuguldur, David van der Spoel*: Force field benchmark of organic liquids. 2. Gibbs energy of solvation. Chem. Inf. Model, 2015, 55(6), pp 1192-1201. Correction to Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation. J. Chem. Inf. Model., 2016, 56(4), pp 819-820.