| 1 |
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: A new method for force-matching
Izvekov S, Parrinello M, Burnham CJ, Voth GA
Journal of Chemical Physics, 120(23), 10896, 2004 |
| 2 |
Molecular dynamics simulation of ionic liquids: The effect of electronic polarizability
Yan TY, Burnham CJ, Del Popolo MG, Voth GA
Journal of Physical Chemistry B, 108(32), 11877, 2004 |
| 3 |
Development of transferable interaction models for water. I. Prominent features of the water dimer potential energy surface
Burnham CJ, Xantheas SS
Journal of Chemical Physics, 116(4), 1479, 2002 |
| 4 |
Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles
Xantheas SS, Burnham CJ, Harrison RJ
Journal of Chemical Physics, 116(4), 1493, 2002 |
| 5 |
Development of transferable interaction models for water. III. Reparametrization of an all-atom polarizable rigid model (TTM2-R) from first principles
Burnham CJ, Xantheas SS
Journal of Chemical Physics, 116(4), 1500, 2002 |
| 6 |
Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface
Burnham CJ, Xantheas SS
Journal of Chemical Physics, 116(12), 5115, 2002 |
| 7 |
The formation of cyclic water complexes by sequential ring insertion: Experiment and theory
Burnham CJ, Xantheas SS, Miller MA, Applegate BE, Miller RE
Journal of Chemical Physics, 117(3), 1109, 2002 |
| 8 |
The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters (n=2-21) and the phonon spectrum of ice Ih
Burnham CJ, Li JC, Xantheas SS, Leslie M
Journal of Chemical Physics, 110(9), 4566, 1999 |
| 9 |
Molecular-Dynamics Calculations for Ice Ih
Burnham CJ, Li JC, Leslie M
Journal of Physical Chemistry B, 101(32), 6192, 1997 |
