| Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies J Wang, P Cieplak, J Li, J Wang, Q Cai, MJ Hsieh, H Lei, R Luo, Y Duan The Journal of Physical Chemistry B, 2011 | 146 | 2011 |
| Performance of nonlinear finite-difference Poisson− Boltzmann solvers Q Cai, MJ Hsieh, J Wang, R Luo Journal of Chemical Theory and Computation 6 (1), 203-211, 2010 | 98 | 2010 |
| Annual reports in computational chemistry D Spellmeyer Elsevier, 2006 | 81 | 2006 |
| Development of polarizable models for molecular mechanical calculations. 4. van der Waals parametrization J Wang, P Cieplak, J Li, Q Cai, MJ Hsieh, R Luo, Y Duan The Journal of Physical Chemistry B 116 (24), 7088-7101, 2012 | 80 | 2012 |
| Development of polarizable models for molecular mechanical calculations. 3. Polarizable water models conforming to Thole polarization screening schemes J Wang, P Cieplak, Q Cai, MJ Hsieh, J Wang, Y Duan, R Luo The Journal of Physical Chemistry B 116 (28), 7999-8008, 2012 | 78 | 2012 |
| Reducing Grid Dependence in Finite-Difference Poisson–Boltzmann Calculations J Wang, Q Cai, Y Xiang, R Luo Journal of Chemical Theory and Computation 8 (8), 2741-2751, 2012 | 70 | 2012 |
| On removal of charge singularity in Poisson–Boltzmann equation Q Cai, J Wang, HK Zhao, R Luo The Journal of chemical physics 130 (14), 2009 | 67 | 2009 |
| Achieving energy conservation in Poisson-Boltzmann molecular dynamics: Accuracy and precision with finite-difference algorithms J Wang, Q Cai, ZL Li, HK Zhao, R Luo Chemical physics letters 468 (4-6), 112-118, 2009 | 62 | 2009 |
| Exploring accurate Poisson–Boltzmann methods for biomolecular simulations C Wang, J Wang, Q Cai, Z Li, HK Zhao, R Luo Computational and Theoretical Chemistry 1024, 34-44, 2013 | 43 | 2013 |
| Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies Q Cai, X Ye, J Wang, R Luo Chemical Physics Letters, 2011 | 36 | 2011 |
| Electrostatic forces in the Poisson-Boltzmann systems L Xiao, Q Cai, X Ye, J Wang, R Luo The Journal of chemical physics 139 (9), 2013 | 35 | 2013 |
| Dielectric pressure in continuum electrostatic solvation of biomolecules Q Cai, X Ye, R Luo Physical Chemistry Chemical Physics, 2012 | 33 | 2012 |
| Roles of boundary conditions in DNA simulations: analysis of ion distributions with the finite-difference Poisson-Boltzmann method X Ye, Q Cai, W Yang, R Luo Biophysical journal 97 (2), 554-562, 2009 | 32 | 2009 |
| Numerical Poisson-Boltzmann Model for Continuum Membrane Systems WM Botello-Smith, X Liu, Q Cai, Z Li, H Zhao, R Luo Chemical Physics Letters, 2012 | 31 | 2012 |
| On-the-fly Numerical Surface Integration for Finite-Difference Poisson-Boltzmann Methods Q Cai, X Ye, J Wang, R Luo Journal of Chemical Theory and Computation, 2011 | 31 | 2011 |
| Poisson–Boltzmann implicit solvation models Q Cai, J Wang, MJ Hsieh, X Ye, R Luo Annual Reports in Computational Chemistry 8, 149-162, 2012 | 19 | 2012 |
| Biological applications of classical electrostatics methods WM Botello-Smith, Q Cai, R Luo Journal of Theoretical and Computational Chemistry 13 (03), 1440008, 2014 | 15 | 2014 |
| Application of simulated annealing to design and realisation of two-dimension fibre-type optical phased array Y Zhao, X Yang, Q Cai, W Hu Electronics Letters 44 (7), 1, 2008 | 15 | 2008 |
| A semi-implicit augmented IIM for Navier–Stokes equations with open, traction, or free boundary conditions Z Li, L Xiao, Q Cai, H Zhao, R Luo Journal of computational physics 297, 182-193, 2015 | 14 | 2015 |
| A multi-scale method for dynamics simulation in continuum solvent models. I: Finite-difference algorithm for Navier–Stokes equation L Xiao, Q Cai, Z Li, H Zhao, R Luo Chemical Physics Letters 616, 67-74, 2014 | 14 | 2014 |
