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Physical Chemistry Chemical Physics : PCCP
|
May 27, 2015
The grid-based fast multipole method--a massively parallel numerical scheme for calculating two-electron interaction energies
Elias A Toivanen, Sergio A Losilla, Dage Sundholm
The Journal of Chemical Physics
|
January 15, 2018
Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations
Niels Kristian Madsen, Ian H Godtliebsen, Sergio A Losilla, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Construction of the Fock Matrix on a Grid-Based Molecular Orbital Basis Using GPGPUs
Sergio A Losilla, Mark A Watson, Alán Aspuru-Guzik, et al.
The Journal of Chemical Physics
|
March 3, 2017
Optimization of numerical orbitals using the Helmholtz kernel
Eelis Solala, Sergio A Losilla, Dage Sundholm, et al.
Journal of Chemical Theory and Computation
|
January 18, 2017
A Generalized Grid-Based Fast Multipole Method for Integrating Helmholtz Kernels
Pauli Parkkinen, Sergio A Losilla, Eelis Solala, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
May 27, 2015
The grid-based fast multipole method--a massively parallel numerical scheme for calculating two-electron interaction energies
Elias A Toivanen, Sergio A Losilla, Dage Sundholm
The Journal of Chemical Physics
|
January 15, 2018
Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations
Niels Kristian Madsen, Ian H Godtliebsen, Sergio A Losilla, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Construction of the Fock Matrix on a Grid-Based Molecular Orbital Basis Using GPGPUs
Sergio A Losilla, Mark A Watson, Alán Aspuru-Guzik, et al.
The Journal of Chemical Physics
|
March 3, 2017
Optimization of numerical orbitals using the Helmholtz kernel
Eelis Solala, Sergio A Losilla, Dage Sundholm, et al.
Journal of Chemical Theory and Computation
|
January 18, 2017
A Generalized Grid-Based Fast Multipole Method for Integrating Helmholtz Kernels
Pauli Parkkinen, Sergio A Losilla, Eelis Solala, et al.
Page
of 1