GPU Acceleration of Second‐Order Møller–Plesset Perturbation Theory with Resolution of Identity (English)
- New search for: Olivares‐Amaya, Roberto
- New search for: Jinich, Adrian
- New search for: Watson, Mark A.
- New search for: Aspuru‐Guzik, Alán
- New search for: Walker, Ross C.
- New search for: Götz, Andreas W.
- New search for: Olivares‐Amaya, Roberto
- New search for: Jinich, Adrian
- New search for: Watson, Mark A.
- New search for: Aspuru‐Guzik, Alán
In:
Electronic Structure Calculations on Graphics Processing Units
: From Quantum Chemistry to Condensed Matter Physics
;
259-278
;
2016
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ISBN:
- Article/Chapter (Book) / Electronic Resource
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Title:GPU Acceleration of Second‐Order Møller–Plesset Perturbation Theory with Resolution of Identity
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Contributors:Walker, Ross C. ( editor ) / Götz, Andreas W. ( editor ) / Olivares‐Amaya, Roberto ( author ) / Jinich, Adrian ( author ) / Watson, Mark A. ( author ) / Aspuru‐Guzik, Alán ( author )
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Published in:Electronic Structure Calculations on Graphics Processing Units : From Quantum Chemistry to Condensed Matter Physics ; 259-278
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Publisher:
- New search for: John Wiley & Sons, Ltd
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Place of publication:Chichester, UK
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Publication date:2016-03-10
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Size:19 pages
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ISBN:
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DOI:
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Type of media:Article/Chapter (Book)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents eBook
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Supplemental Images| 2016
- 1
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Why Graphics Processing UnitsNeedham, Perri / Götz, Andreas W. / Walker, Ross C. et al. | 2016
- 23
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GPUs: Hardware to SoftwareNeedham, Perri / Götz, Andreas W. / Walker, Ross C. et al. | 2016
- 39
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Overview of Electronic Structure MethodsGötz, Andreas W. et al. | 2016
- 67
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Gaussian Basis Set Hartree–Fock, Density Functional Theory, and Beyond on GPUsLuehr, Nathan / Sisto, Aaron / Martínez, Todd J. et al. | 2016
- 101
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GPU Acceleration for Density Functional Theory with Slater‐Type Orbitalsvan Schoot, Hans / Visscher, Lucas et al. | 2016
- 115
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Wavelet‐Based Density Functional Theory on Massively Parallel Hybrid ArchitecturesGenovese, Luigi / Videau, Brice / Caliste, Damien / Méhaut, Jean‐François / Goedecker, Stefan / Deutsch, Thierry et al. | 2016
- 135
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Plane‐Wave Density Functional TheoryHutchinson, Maxwell / Fleurat‐Lessard, Paul / Anciaux‐Sedrakian, Ani / Stosic, Dusan / Bédorf, Jeroen / Tariq, Sarah et al. | 2016
- 173
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GPU‐Accelerated Sparse Matrix–Matrix Multiplication for Linear Scaling Density Functional TheorySchütt, Ole / Messmer, Peter / Hutter, Jürg / VandeVondele, Joost et al. | 2016
- 191
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Grid‐Based Projector‐Augmented Wave MethodHakala, Samuli / Enkovaara, Jussi / Havu, Ville / Yan, Jun / Li, Lin / O'Grady, Chris / Nieminen, Risto M. et al. | 2016
- 211
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Application of Graphics Processing Units to Accelerate Real‐Space Density Functional Theory and Time‐Dependent Density Functional Theory CalculationsAndrade, Xavier / Aspuru‐Guzik, Alán et al. | 2016
- 239
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Semiempirical Quantum ChemistryWu, Xin / Koslowski, Axel / Thiel, Walter et al. | 2016
- 259
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GPU Acceleration of Second‐Order Møller–Plesset Perturbation Theory with Resolution of IdentityOlivares‐Amaya, Roberto / Jinich, Adrian / Watson, Mark A. / Aspuru‐Guzik, Alán et al. | 2016
- 279
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Iterative Coupled‐Cluster Methods on Graphics Processing UnitsDePrince III, A. Eugene / Hammond, Jeff R. / Sherrill, C. David et al. | 2016
- 301
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Perturbative Coupled‐Cluster Methods on Graphics Processing Units: Single‐ and Multi‐Reference FormulationsMa, Wenjing / Bhaskaran‐Nair, Kiran / Villa, Oreste / Aprà, Edoardo / Tumeo, Antonino / Krishnamoorthy, Sriram / Kowalski, Karol et al. | 2016
- 327
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Scientific Index| 2016
- 333
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Technical Index| 2016
- i
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Front Matter| 2016