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The Journal of Chemical Physics
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May 19, 2007
Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points
Richard Dawes, Donald L Thompson, Yin Guo, et al.
The Journal of Chemical Physics
|
July 23, 2004
Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function
Akio Kawano, Yin Guo, Donald L Thompson, et al.
Journal of Computational Chemistry
|
November 19, 2015
Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding
Murat Keçeli, Hong Zhang, Peter Zapol, et al.
The Journal of Chemical Physics
|
September 9, 2004
Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations
Yin Guo, Akio Kawano, Donald L Thompson, et al.
The Journal of Chemical Physics
|
February 14, 2006
Interpolating moving least-squares methods for fitting potential-energy surfaces: further improvement of efficiency via cutoff strategies
Akio Kawano, Igor V Tokmakov, Donald L Thompson, et al.
The Journal of Chemical Physics
|
November 20, 2004
Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system
Gia G Maisuradze, Akio Kawano, Donald L Thompson, et al.
The Journal of Chemical Physics
|
March 17, 2007
Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction
Yin Guo, Lawrence B Harding, Albert F Wagner, et al.
The Journal of Chemical Physics
|
January 10, 2015
Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath
Luis A Rivera-Rivera, Albert F Wagner, Thomas D Sewell, et al.
The Journal of Chemical Physics
|
April 17, 2009
Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space
Richard Dawes, Alessio Passalacqua, Albert F Wagner, et al.
The Journal of Physical Chemistry. A
|
March 2, 2013
A classical trajectory study of the dissociation and isomerization of C2H5
Albert F Wagner, Luis A Rivera-Rivera, Damien Bachellerie, et al.
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Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
May 19, 2007
Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points
Richard Dawes, Donald L Thompson, Yin Guo, et al.
The Journal of Chemical Physics
|
July 23, 2004
Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function
Akio Kawano, Yin Guo, Donald L Thompson, et al.
Journal of Computational Chemistry
|
November 19, 2015
Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding
Murat Keçeli, Hong Zhang, Peter Zapol, et al.
The Journal of Chemical Physics
|
September 9, 2004
Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations
Yin Guo, Akio Kawano, Donald L Thompson, et al.
The Journal of Chemical Physics
|
February 14, 2006
Interpolating moving least-squares methods for fitting potential-energy surfaces: further improvement of efficiency via cutoff strategies
Akio Kawano, Igor V Tokmakov, Donald L Thompson, et al.
The Journal of Chemical Physics
|
November 20, 2004
Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system
Gia G Maisuradze, Akio Kawano, Donald L Thompson, et al.
The Journal of Chemical Physics
|
March 17, 2007
Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction
Yin Guo, Lawrence B Harding, Albert F Wagner, et al.
The Journal of Chemical Physics
|
January 10, 2015
Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath
Luis A Rivera-Rivera, Albert F Wagner, Thomas D Sewell, et al.
The Journal of Chemical Physics
|
April 17, 2009
Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space
Richard Dawes, Alessio Passalacqua, Albert F Wagner, et al.
The Journal of Physical Chemistry. A
|
March 2, 2013
A classical trajectory study of the dissociation and isomerization of C2H5
Albert F Wagner, Luis A Rivera-Rivera, Damien Bachellerie, et al.
Page
of 3