E-LIB Suche - Ergebnisse für: Alkan, Melisa

1

Porting fragmentation methods to GPUs using an OpenMP API: ..:

Pham, Buu Q. ; Carrington, Laura ; Tiwari, Ananta...
The Journal of Chemical Physics. 158 (2023) 16 - p. , 2023

Link: https://doi.org/10.1063/..

2

Porting Fragmentation Methods to Graphical Processing Units..:

Pham, Buu Q. ; Alkan, Melisa ; Gordon, Mark S.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

3

Enabling Fortran Standard Parallelism in GAMESS for Acceler..:

Alkan, Melisa ; Pham, Buu Q. ; Hammond, Jeff R..
Journal of Chemical Theory and Computation. 19 (2023) 13 - p. 3798-3805 , 2023

Link: https://doi.org/10.1021/..

4

Toward an extreme-scale electronic structure system:

Galvez Vallejo, Jorge L. ; Snowdon, Calum ; Stocks, Ryan...
The Journal of Chemical Physics. 159 (2023) 4 - p. , 2023

Link: https://doi.org/10.1063/..

5

Computational and Mechanistic Studies of Pd-Catalyzed Alken..:

Alkan, Melisa ; Banovetz, Haley K. ; Gordon, Mark S..
ACS Catalysis. 13 (2023) 14 - p. 9766-9776 , 2023

Link: https://doi.org/10.1021/..

6

Outcomes of OpenMP Hackathon: OpenMP Application Experience..:

, In: OpenMP: Enabling Massive Node-Level Parallelism; Lecture Notes in Computer Science,

Chapman, Barbara ; Pham, Buu ; Yang, Charlene... - p. 81-95 , 2021

Link: https://doi.org/10.1007/..

7

Enabling large-scale correlated electronic structure calcul..:

, In: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis,

Barca, Giuseppe M. J. ; Vallejo, Jorge L. Galvez ; Poole, David L.... - p. 1-15 , 2021

Link: https://dl.acm.org/doi/1..

8

Palladium-Catalyzed Intermolecular Alkene Carboacylation vi..:

Banovetz, Haley K. ; Vickerman, Kevin L. ; David, Colton M...
Organic Letters. 23 (2021) 9 - p. 3507-3512 , 2021

Link: https://doi.org/10.1021/..

9

Enabling Large-Scale Correlated Electronic Structure Calcul..:

, In: SC21: International Conference for High Performance Computing, Networking, Storage and Analysis,

Barca, Giuseppe M.J. ; Vallejo, Jorge L. Galvez ; Poole, David L.... - p. 01-14 , 2021

Link: https://doi.org/10.1145/..

10

Faster Self-Consistent Field (SCF) Calculations on GPU Clus..:

Barca, Giuseppe M. J. ; Alkan, Melisa ; Galvez-Vallejo, Jorge L....
Journal of Chemical Theory and Computation. 17 (2021) 12 - p. 7486-7503 , 2021

Link: https://doi.org/10.1021/..

11

Outcomes of OpenMP Hackathon: OpenMP Application Experience..:

, In: OpenMP: Enabling Massive Node-Level Parallelism; Lecture Notes in Computer Science,

Chapman, Barbara ; Pham, Buu ; Yang, Charlene... - p. 67-80 , 2021

Link: https://doi.org/10.1007/..

12

Heterotrimetallic Mixed‐Valent Molecular Precursors Contain..:

Han, Haixiang ; Carozza, Jesse C. ; Colliton, Audra P....
Angewandte Chemie International Edition. 59 (2020) 24 - p. 9624-9630 , 2020

Link: https://doi.org/10.1002/..

13

Heterotrimetallic Mixed‐Valent Molecular Precursors Contain..:

Han, Haixiang ; Carozza, Jesse C. ; Colliton, Audra P....
Angewandte Chemie. 132 (2020) 24 - p. 9711-9717 , 2020

Link: https://doi.org/10.1002/..

14

Coupling of two curved polyaromatic radical-anions: stabili..:

Alkan, Melisa ; Rogachev, Andrey Yu.
Physical Chemistry Chemical Physics. 22 (2020) 12 - p. 6716-6726 , 2020

Link: https://doi.org/10.1039/..

15

Many-Body Dispersion:

Xu, Peng ; Alkan, Melisa ; Gordon, Mark S.
Chemical Reviews. 120 (2020) 22 - p. 12343-12356 , 2020

Link: https://doi.org/10.1021/..