Selected Publications

• The multiscale coarse-graining method. XI. Accurate interactions based on the centers of charge of coarse-grained s...
  Z. Cao, G. A. Voth
  J. Chem. Phys, (2015)
• Hydrated Proton Structure and Diffusion at Platinum Surfaces
  Z. Cao, R. Kumar, Y. Peng, G. A. Voth,
  J. Chem. Phys. C. 119(26), 14675-14682, (2015)
• Ion Transport through Ultrathin Electrolyte under Applied Voltages
  Z. Cao, Y. Peng, R. Kumar, G. A. Voth,
  J. Phys. Chem. B. 119(24), 7516-7521, (2015)
• Path Integral Coarse-Graining Replica Exchange Method for Enhanced Sampling
  Y. Peng, Z. Cao, R. Zhou, G. A. Voth
  J. Chem. Theory Chem. 2014, 10(9), 3634-3640, (2014)
• Proton Transport Under External Applied Voltage
  Z. Cao, R. Kumar, Y. Peng, G. A. Voth
  J. Phys. Chem. B, 2014, 118(28), 8090-8098, (2014)
• Solvent Free Ionic Solution Models from Multiscale Coarse-Graining
  Z. Cao, J. F. Dama, L. Lu, G. A. Voth
  J. Chem. Theory Chem. 2012, 9(1), 172-178, (2012)
• Cation-π Interaction between a Free-Base Porphyrin and an Ionic Liquid: A Computational Study
  Z. Cao, S. Li, T. Yan
  ChemPhysChem. 2012, 13(7), 1743-1747, (2012)
• Mechanism of Fast Proton Transport along One-Dimensional Water Chains Confined in Carbon Nanotubes
  Z. Cao, Y. Peng, T. Yan, S. Li, A. Li, G. A. Voth,
  J. Am. Chem. Soc., 2010, 132(33), 11395-11397, (2010)
• Molecular Dynamics Simulation of Fullerene C60 in Ethanol Solution
  Z. Cao, Y. Peng, S. Li, L. Liu, T. Yan
  J. Phys. Chem. C., 2008, 113(8), 3096-3104, (2008)