• Gas Combustions by Molecular Dynamics Simulations with the Novel Reactive Force Filed (ReaxFF) (2003)

• Molecular Simulations of Highly Energetic Materials (2003)

• Rupture Forces Between Biological Receptor and Ligand (2002)

• Tip-Based MD Simulation of Friction of SAMs on Au(111): chain length, terminal group, scan direction and scan velocity  (2002)

• Friction Properties of MEMS Immersed in Liquid Solvents  (2002)

• Tribological Study of MEMS in Humidity Air (2000-2002).

• Nanoscale Friction and Adhesion of Alkyl Monolayers on Si(111) by Scanning Force Microscopy (2001).

• Development of an Accurate Force Field for Self-assembled Alkanethiol Monolayers on Au(111) (2001).

• Molecular Simulation of Alkyl monolayers on Si(111) (2001).

• Non-Equilibrium Molecular Dynamics Simulations of Confined Fluids in Equilibrium with the Bulk (1998-2000).

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Previous Research Projects on Thermodynamics and Phase Equilibria

(For more information, please email me at lzhang@wag.caltech.edu.)

• Prediction of Phase Equilibria for Electrolyte Solutions with Chemical Reactions (1994-1997).

• Measurement and Prediction of Solubility of Electrolytes in Aqueous Solutions (1995-1998).

• Algorithm for Phase Equilibria with Chemical Reactions (1994-1995).

• Determination of Activity Coefficients Electrolytes in Aqueous and/or Mixed Solvent Solutions (1990-1995.

• Measurement of Vapor-Liquid Equilibria (VLE) for Mixed Solvent Electrolyte Solutions (1993).

• Development of an Excess Gibbs Free Energy Model for Mixed Solvent Electrolyte Solutions (1992).

• Extensive Studies on the LM Model for Electrolyte Solutions (1992-1994).

• Development of an software package PHEES (PHase Equilibria of Electrolyte Solutions) (1993-1997)