Qin Cai

Publications (14)

Publications listed in the lab bibliography, across all years.

2015

Zhilin Li, Li Xiao, Qin Cai, Hongkai Zhao, Ray Luo (2015). A semi-implicit augmented IIM for Navier–Stokes equations with open, traction, or free boundary conditions. Journal of Computational Physics.

2013

Wesley M. Botello-Smith, Xingping Liu, Qin Cai, Zhilin Li, Hongkai Zhao, Ray Luo (2013). Numerical Poisson–Boltzmann model for continuum membrane systems. Chemical Physics Letters.

Changhao Wang, Jun Wang, Qin Cai, Zhilin Li, Hong-Kai Zhao, Ray Luo (2013). Exploring accurate Poisson–Boltzmann methods for biomolecular simulations. Computational and Theoretical Chemistry.

Li Xiao, Qin Cai, Xiang Ye, Jun Wang, Ray Luo (2013). Electrostatic forces in the Poisson-Boltzmann systems. The Journal of Chemical Physics.

2012

Jun Wang, Qin Cai, Ye Xiang, Ray Luo (2012). Reducing Grid Dependence in Finite-Difference Poisson–Boltzmann Calculations. Journal of Chemical Theory and Computation.

Qin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye, Ray Luo (2012). Poisson–Boltzmann Implicit Solvation Models. Annual Reports in Computational Chemistry.

Qin Cai, Xiang Ye, Ray Luo (2012). Dielectric pressure in continuum electrostatic solvation of biomolecules. Physical Chemistry Chemical Physics.

Junmei Wang, Piotr Cieplak, Jie Li, Qin Cai, Meng-Juei Hsieh, Ray Luo, Yong Duan (2012). Development of Polarizable Models for Molecular Mechanical Calculations. 4. van der Waals Parametrization. The Journal of Physical Chemistry B.

2011

Qin Cai, Xiang Ye, Jun Wang, Ray Luo (2011). On-the-Fly Numerical Surface Integration for Finite-Difference Poisson–Boltzmann Methods. Journal of Chemical Theory and Computation.

Qin Cai, Xiang Ye, Jun Wang, Ray Luo (2011). Dielectric boundary force in numerical Poisson–Boltzmann methods: Theory and numerical strategies. Chemical Physics Letters.

2009

Xiang Ye, Qin Cai, Wei Yang, Ray Luo (2009). Roles of Boundary Conditions in DNA Simulations: Analysis of Ion Distributions with the Finite-Difference Poisson-Boltzmann Method. Biophysical Journal.

Qin Cai, Meng-Juei Hsieh, Jun Wang, Ray Luo (2009). Performance of Nonlinear Finite-Difference Poisson−Boltzmann Solvers. Journal of Chemical Theory and Computation.

Qin Cai, Jun Wang, Hong-Kai Zhao, Ray Luo (2009). On removal of charge singularity in Poisson–Boltzmann equation. The Journal of Chemical Physics.

Jun Wang, Qin Cai, Zhi-Lin Li, Hong-Kai Zhao, Ray Luo (2009). Achieving energy conservation in Poisson–Boltzmann molecular dynamics: Accuracy and precision with finite-difference algorithms. Chemical Physics Letters.