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Nicholas J. Wright
SDSC Publications
- Characterizing Parallel Scaling of Scientific Applications using IPM.
Nicholas J. Wright, Wayne Pfeiffer and Allan Snavely.
The 10th LCI International Conference on High-Performance Clustered Computing. Denver, March 10-12 2009.
Modeling and Predicting Application Performance on Parallel Computers Using HPC Challenge Benchmarks.
Wayne Pfeiffer and Nicholas J. Wright.
22nd IEEE International Parallel and Distributed Processing Symposium, Hyatt Regency Hotel, Miami, FL, April 14-18, 2008.
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WRF Nature Run.
John Michalakes, Joshua Hacker, Richard Loft,
Michael O. McCracken, Allan Snavely, Nicholas J. Wright, Tom Spelce, Brent Gorda, Robert Walkup.
Proceedings of the 2007 ACM/IEEE Conference on Supercomputing
, (SC07), Reno, Nevada,
November 10-13, 2007. pp. 32-41.
Computational Chemistry Publications
Refereed Journals
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The effects of orientational and energetic disorder on Forster energy migration along a one-dimensional lattice.
Tai-Sang Ahn, Nicholas Wright and Christopher J. Bardeen
Chem. Phys. Lett. 446, 43-48 (2007)
- Forward-Backward Semiclassical Simulation of
Dynamical Processes in Liquids.
Nancy Makri, Akira Nakayama and Nicholas J. Wright.
J. Theor. Comp. Chem. 3, 391-417 (2004)
- Phase space features and statistical aspects of forwardbackward
semiclassical dynamics.
Nicholas J. Wright and Nancy Makri
J. Phys. Chem. B. 108, 6816-6825 (2004)
- Forward–backward semiclassical dynamics for condensed
phase time correlation functions
Nicholas J. Wright and Nancy Makri
J. Chem. Phys. 119, 1634-1641 (2003)
- An upper limit
to the concentration of an SO2 complex at the air–water interface at 298 K: infrared
experiments and ab initio calculations.
Husheng Yang, Nicholas J. Wright, Aaron M. Gagnon, R. Benny Gerber and Barbara J. Finlayson-Pitts.
Phys. Chem. Chem. Phys. 4, 1831-1838 (2002)
- Extending the Vibrational Self-Consistent Method: Using a
Partially Separable Wave Function for Calculating Anharmonic Vibrational States
of Polyatomic molecules.
Nicholas J. Wright and R. Benny Gerber
J. Chem. Phys. 114, 8763-8768 (2001)
- Direct calculation of anharmonic vibrational states of
polyatomic molecules using density functional theory: testing the HCTH
and B97 functionals.
Nicholas J. Wright, R. Benny Gerber and David J. Tozer
Chem. Phys. Lett. 324, 206-212 (2000).
- The potential energy surface and ro-vibrational states of
He-CH+.
Markus Meuwly and Nicholas J. Wright
J. Phys. Chem. A. 104, 1271-1277 (2000).
- Regular and irregular vibrational states:
localized anharmonic modes and transition-state spectroscopy of
Na3.
Nicholas J. Wright and Jeremy M. Hutson
J. Chem. Phys. 112, 3214-3219 (2000)
- Direct calculation of anharmonic vibrational states of
polyatomic molecules using potential energy surfaces calculated from
density functional theory.
Nicholas J. Wright and R. Benny Gerber
J. Chem. Phys. 112, 2598-2604 (2000)
- Regular and irregular vibrational states: localized anharmonic
modes in Ar3.
Nicholas J. Wright and Jeremy M. Hutson
J. Chem. Phys. 110, 902-911 (1999).
Book Chapters
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- Regular and irregular vibrational wave functions of Ar3,
Nicholas J. Wright and Jeremy M. Hutson,
in R. Prosmiti, J. Tennyson and D. C. Clary (editors), "Molecular
Quantum States at Dissociation", published by CCP6, Daresbury
(1998). ISBN 0-9522736-5-9.
- The vibrational self-consistent field (VSCF) method for
calculating vibrational energies,
Nicholas J. Wright, Galina C. Chaban, Joon O. Jung and R. Benny
Gerber,
in M. M. Law, I. A. Atkinson and J. M. Hutson (editors),
"Rovibrational Bound States of Polyatomic Molecules",published by
CCP6, Daresbury (1999). ISBN 0-9522736-6-7
Books Edited
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- Fashioning a Model: Optimization Methods in Chemical Physics,
A. Ernesti, J. M. Hutson and N. J. Wright (editors),
published by CCP6, Daresbury (1998). ISBN 0-9522736-4-0.
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