Papers

Here are BibTeX entries for papers I have co-written. Feel free to cite me frequently. ;-)

@article{ymg99,
   author  = {Terumasa Yamasaki and Daniel T. Mainz and 
              William A. {Goddard III}},
   title   = {Correlation Analysis of Chemical Bonds (CACB) II: Quantum
              Mechanical Operators for Classical Chemical Concepts},
   journal = {J. Phys. Chem. A, submitted},
   year    = 1999,
}
@article{bkzm99,
   author  = {Jay L. Banks and George A. Kaminski and Ruhong Zhou
              and Daniel T. Mainz and B. J. Berne and Richard A. Friesner},
   title   = {Parameterizing a polarizable force field from ab initio data.
              I. The fluctuating point charge model},
   journal = {J. Chem. Phys.},
   volume  = 110,
   pages   - {741--754},
   year    = 1999,
}
@phdthesis{m96,
   author  = {Daniel Timothy Mainz},
   title   = {Electronic Structure Methods on Large Systems: 
              Algorithmic Improvements and Application 
              in an Automated Parameterization of
              Polarizable Force Fields},
   school  = {Columbia University},
   year    = 1996,
}   
DVI Version (549 KB).
@article{mkfr96,
   author  = {Daniel T. Mainz and Jasna Klici{\'c} and Richard A. Friesner and 
              Murco N. Ringnalda and W. Thomas Pollard},
   title   = {Geometry Optimization via the PS-GVB Electronic Structure 
              Program},
   journal = {in preparation},
   year    = 1996,
}

@article{mkfl97,
   author  = {Daniel T. Mainz and Jasna Klici{\'c} and Richard A. Friesner and 
              Jean-Marc Langlois and Jason K. Perry},
   title   = {Extension of the PS-GVB Electronic Structure Code on Transition 
              Metal Complexes},
   journal = {J. Comput. Chem.},
   volume  = 18,
   pages   = {1863--1874},
   year    = 1997,
}

@article{mb96,
   author  = {Daniel T. Mainz and {R.~Stephen} Berry},
   title   = {Effect of Potential Energy Topography on Dynamics and
              Phase Behaviour of Clusters},
   journal = MP,
   volume  = 88,
   pages   = 709,
   year    = 1996,
}

@article{grmf94,
   author  = {Burnham H. Greeley and Thomas V. Russo and Daniel
              T. Mainz and Richard A. Friesner and Goddard~III,
              William A. and Donnelly,~Jr., Robert E. and Murco N.  
              Ringnalda},
   title   = {New Pseudospectral Algorithms for Electronic Structure 
              Calculations: Length-Scale Separation and Analytical 
              Two-Electron Integral Calculations},
   journal = JCP,
   volume  = 101,
   pages   = 4028,
   year    = 1994,
}

At some point I'll put LaTeX and/or Postscript versions of my papers in this space. Stay Tuned!

Daniel T. Mainz / Materials and Process Simulation Center

Beckman Institute (139-74) / Caltech / Pasadena, CA 91125

Last Modified: 8 June 1997