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Brozell, Scott R.
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1

Optimizing Amber for Device-to-Device GPU Communication:

, In: Practice and Experience in Advanced Research Computing,
Khuvis, Samuel ; Tomko, Karen ; Brozell, Scott R.... - p. 200-205 , 2023
Link: https://dl.acm.org/doi/1..
 
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2

Edge counts for the auxiliary pair graph within the graphic..:

Brozell, Scott R. ; Shepard, Ron
Molecular Physics.  119 (2021)  21-22 - p. , 2021
Link: https://doi.org/10.1080/..
 
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3

Wave function analysis with a maximum flow algorithm:

Shepard, Ron ; Brozell, Scott R. ; Larson, Jeffrey..
Molecular Physics.  119 (2020)  13 - p. e1861351 , 2020
Link: https://doi.org/10.1080/..
 
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4

The generality of the GUGA MRCI approach in COLUMBUS for tr..:

Lischka, Hans ; Shepard, Ron ; Müller, Thomas...
The Journal of Chemical Physics.  152 (2020)  13 - p. , 2020
Link: https://doi.org/10.1063/..
 
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5

Representations of Shavitt Graphs Within the Graphical Unit..:

Shepard, Ron ; Brozell, Scott R. ; Gidofalvi, Gergely
Journal of Computational Chemistry.  41 (2019)  2 - p. 129-135 , 2019
Link: https://doi.org/10.1002/..
 
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6

The all configuration mean energy multiconfiguration self-c..:

Shepard, Ron ; Brozell, Scott R.
Molecular Physics.  117 (2019)  17 - p. 2374-2390 , 2019
Link: https://doi.org/10.1080/..
 
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7

The Representation and Parametrization of Orthogonal Matric..:

Shepard, Ron ; Brozell, Scott R. ; Gidofalvi, Gergely
The Journal of Physical Chemistry A.  119 (2015)  28 - p. 7924-7939 , 2015
Link: https://doi.org/10.1021/..
 
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8

DOCK 6: Impact of new features and current docking performa..:

Allen, William J. ; Balius, Trent E. ; Mukherjee, Sudipto...
Journal of Computational Chemistry.  36 (2015)  15 - p. 1132-1156 , 2015
Link: https://doi.org/10.1002/..
 
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9

The multifacet graphically contracted function method. II. ..:

Shepard, Ron ; Gidofalvi, Gergely ; Brozell, Scott R.
The Journal of Chemical Physics.  141 (2014)  6 - p. , 2014
Link: https://doi.org/10.1063/..
 
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10

Wave function analysis with Shavitt graph density in the gr..:

Gidofalvi, Gergely ; Brozell, Scott R. ; Shepard, Ron
Theoretical Chemistry Accounts.  133 (2014)  9 - p. , 2014
Link: https://doi.org/10.1007/..
 
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11

The multifacet graphically contracted function method. I. F..:

Shepard, Ron ; Gidofalvi, Gergely ; Brozell, Scott R.
The Journal of Chemical Physics.  141 (2014)  6 - p. , 2014
Link: https://doi.org/10.1063/..
 
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12

Evaluation of DOCK 6 as a pose generation and database enri..:

Brozell, Scott R. ; Mukherjee, Sudipto ; Balius, Trent E....
Journal of Computer-Aided Molecular Design.  26 (2012)  6 - p. 749-773 , 2012
Link: https://doi.org/10.1007/..
 
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13

Assessment of the Accuracy of Shape-Consistent Relativistic..:

Beck, Eric V. ; Brozell, Scott R. ; Blaudeau, Jean-Philippe..
The Journal of Physical Chemistry A.  113 (2009)  45 - p. 12626-12631 , 2009
Link: https://doi.org/10.1021/..
 
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14

Evaluation of the Spin−Orbit Interaction within the Graphic..:

Brozell, Scott R. ; Shepard, Ron
The Journal of Physical Chemistry A.  113 (2009)  45 - p. 12741-12747 , 2009
Link: https://doi.org/10.1021/..
 
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15

Spin–orbit interaction with nonlinear wave functions:

Brozell, Scott R. ; Shepard, Ron ; Zhang, Zhiyong
International Journal of Quantum Chemistry.  107 (2007)  15 - p. 3191-3202 , 2007
Link: https://doi.org/10.1002/..
 
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