Acceleration of the GAMESS-UK electronic structure package on graphical processing units. (Q51572316)

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scientific article published on 3 May 2011

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English	Acceleration of the GAMESS-UK electronic structure package on graphical processing units.	scientific article published on 3 May 2011

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instance of

scholarly article

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

title

Acceleration of the GAMESS-UK electronic structure package on graphical processing units. (English)

1 reference

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Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

author

Paul Sherwood

series ordinal

2

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stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

Kevin J. Naidoo

series ordinal

4

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Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

author name string

Karl A Wilkinson

series ordinal

1

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

Martyn F Guest

series ordinal

3

1 reference

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Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

publication date

3 May 2011

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Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

published in

Journal of Computational Chemistry

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

volume

32

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

issue

10

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

page(s)

2313-2318

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

cites work

GPU-accelerated molecular modeling coming of age

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https://api.crossref.org/works/10.1002%2FJCC.21815

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21 January 2018

Two-electron integral evaluation on the graphics processor unit

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21 January 2018

Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation.

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21 January 2018

General atomic and molecular electronic structure system

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21 January 2018

CHARMM: the biomolecular simulation program

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21 January 2018

Ring puckering: a metric for evaluating the accuracy of AM1, PM3, PM3CARB-1, and SCC-DFTB carbohydrate QM/MM simulations

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21 January 2018

Efficient electronic integrals and their generalized derivatives for object oriented implementations of electronic structure calculations

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21 January 2018

Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units.

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21 January 2018

Electronic Wave Functions. I. A General Method of Calculation for the Stationary States of Any Molecular System

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21 January 2018

Computation of electron repulsion integrals involving contracted Gaussian basis functions

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21 January 2018

The GAMESS-UK electronic structure package: algorithms, developments and applications

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21 January 2018

Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase

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21 January 2018

Identifiers

DOI

10.1002/JCC.21815

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

DBLP publication ID

journals/jcc/WilkinsonSGN11

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

PubMed publication ID

21541963

1 reference

stated in

Europe PubMed Central

PubMed publication ID

21541963

retrieved

7 April 2018

reference URL

http://europepmc.org/abstract/MED/21541963

 

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