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Aktulga, Hasan Metin
61  Ergebnisse:
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1

Amber free energy tools: Interoperable software for free en..:

Tao, Yujun ; Giese, Timothy J. ; Ekesan, Şölen...
The Journal of Chemical Physics.  160 (2024)  22 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

OpenRAND: A performance portable, reproducible random numbe..:

Khan, Shihab Shahriar ; Palmer, Bryce ; Edelmaier, Christopher.
SoftwareX.  27 (2024)  - p. 101773 , 2024
Link: https://doi.org/10.1016/..
 
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3

End-to-End Differentiable Reactive Molecular Dynamics Simul..:

, In: Lecture Notes in Computer Science; High Performance Computing,
Kaymak, Mehmet Cagri ; Schoenholz, Samuel S. ; Cubuk, Ekin D.... - p. 202-219 , 2023
Link: https://doi.org/10.1007/..
 
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4

Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA..:

Manathunga, Madushanka ; Aktulga, Hasan Metin ; Götz, Andreas W..
Journal of Chemical Information and Modeling.  63 (2023)  3 - p. 711-717 , 2023
Link: https://doi.org/10.1021/..
 
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5

AmberTools:

Case, David A. ; Aktulga, Hasan Metin ; Belfon, Kellon...
Journal of Chemical Information and Modeling.  63 (2023)  20 - p. 6183-6191 , 2023
Link: https://doi.org/10.1021/..
 
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6

Hybrid eigensolvers for nuclear configuration interaction c..:

Alperen, Abdullah ; Aktulga, Hasan Metin ; Maris, Pieter.
Computer Physics Communications.  292 (2023)  - p. 108888 , 2023
Link: https://doi.org/10.1016/..
 
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7

AmberTools:

Case, David A ; Aktulga, Hasan Metin ; Belfon, Kellon...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10598796/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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8

AmberTools:

Case, David A ; Aktulga, Hasan Metin ; Belfon, Kellon...
qt18k754mz.  , 2023
Link: https://escholarship.org..
 
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9

OpenRAND: A Performance Portable, Reproducible Random Numbe..:

Khan, Shihab Shahriar ; Palmer, Bryce ; Edelmaierd, Christopher.
http://arxiv.org/abs/2310.19925.  , 2023
Link: http://arxiv.org/abs/231..
 
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10

AmberTools:

Case, David A ; Aktulga, Hasan Metin ; Izadi, Saeed...
info:eu-repo/semantics/altIdentifier/wos/WOS:001083258000001.  , 2023
Link: https://juser.fz-juelich..
 
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11

LAMMPS - a flexible simulation tool for particle-based mate..:

Thompson, Aidan P. ; Aktulga, H. Metin ; Berger, Richard...
Computer Physics Communications.  271 (2022)  - p. 108171 , 2022
Link: https://doi.org/10.1016/..
 
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12

JAX-ReaxFF: A Gradient-Based Framework for Fast Optimizatio..:

Kaymak, Mehmet Cagri ; Rahnamoun, Ali ; O'Hearn, Kurt A....
Journal of Chemical Theory and Computation.  18 (2022)  9 - p. 5181-5194 , 2022
Link: https://doi.org/10.1021/..
 
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13

A Polarizable Cationic Dummy Metal Ion Model:

Rahnamoun, Ali ; O'Hearn, Kurt A. ; Kaymak, Mehmet Cagri...
The Journal of Physical Chemistry Letters.  13 (2022)  23 - p. 5334-5340 , 2022
Link: https://doi.org/10.1021/..
 
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14

High Performance Evaluation of Helmholtz Potentials Using t..:

Lingg, Michael P. ; Hughey, Stephen M. ; Shanker, Balasubramaniam.
IEEE Transactions on Parallel and Distributed Systems.  33 (2022)  12 - p. 3651-3666 , 2022
Link: https://doi.org/10.1109/..
 
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15

A Portable Sparse Solver Framework for Large Matrices on He..:

, In: 2022 IEEE 29th International Conference on High Performance Computing, Data, and Analytics (HiPC),
Rabbi, Fazlay ; Daley, Christopher S. ; Catalyurek, Umit V.. - p. 145-155 , 2022
Link: https://doi.org/10.1109/..
 
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