Zobrazeno 1 - 10
of 575
pro vyhledávání: '"H A Kelly"'
Autor:
Yu Shee, Haote Li, Pengpeng Zhang, Andrea M. Nikolic, Wenxin Lu, H. Ray Kelly, Vidhyadhar Manee, Sanil Sreekumar, Frederic G. Buono, Jinhua J. Song, Timothy R. Newhouse, Victor S. Batista
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract Retrosynthesis, the strategy of devising laboratory pathways by working backwards from the target compound, is crucial yet challenging. Enhancing retrosynthetic efficiency requires overcoming the vast complexity of chemical space, the limite
Externí odkaz:
https://doaj.org/article/e93efc9d82a34a26a2ffd7bfe5466d20
Publikováno v:
Geoscientific Model Development, Vol 15, Pp 3815-3829 (2022)
This paper proposes a new method that combines checkpointing methods with error-controlled lossy compression for large-scale high-performance full-waveform inversion (FWI), an inverse problem commonly used in geophysical exploration. This combination
Externí odkaz:
https://doaj.org/article/317449046ad848a4b7c45d578e1fed9c
Autor:
Edward Stow, Paul H. J. Kelly
Publikováno v:
Frontiers in Computer Science, Vol 4 (2022)
Many systems for image manipulation, signal analysis, machine learning, and scientific computing make use of discrete convolutional filters that are known before computation begins. These contexts benefit from common sub-expression elimination to red
Externí odkaz:
https://doaj.org/article/1fd328d9fe254ea2a733370bb77800c8
Autor:
Daniel Chabeda, Dhritiman Bhattacharyya, H. Ray Kelly, Sara T. Gebre, Isaac Tangen, Clifford P. Kubiak, Victor S. Batista, Tianquan Lian
Publikováno v:
The Journal of Physical Chemistry C. 127:8126-8135
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cd94d030e2eb0d3b5b6899c0caf235e6
https://doi.org/10.1021/acs.jpcc.3c00491
https://doi.org/10.1021/acs.jpcc.3c00491
Publikováno v:
The Journal of Physical Chemistry C. 127:6733-6743
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee55891471ec2c19c5d2f66522aa5346
https://doi.org/10.1021/acs.jpcc.3c00829
https://doi.org/10.1021/acs.jpcc.3c00829
Publikováno v:
Inorganic Chemistry. 62:3000-3006
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3497344e44d227da943ae5f926a71324
https://doi.org/10.1021/acs.inorgchem.2c03533
https://doi.org/10.1021/acs.inorgchem.2c03533
Autor:
Mauricio Cattaneo, Facheng Guo, H. Ray Kelly, Pablo E. Videla, Laura Kiefer, Sara Gebre, Aimin Ge, Qiliang Liu, Shaoxiong Wu, Tianquan Lian, Víctor S. Batista
Publikováno v:
Frontiers in Chemistry, Vol 8 (2020)
Heterogenization of homogenous catalysts on electrode surfaces provides a valuable approach for characterization of catalytic processes in operando conditions using surface selective spectroelectrochemistry methods. Ligand design plays a central role
Externí odkaz:
https://doaj.org/article/2dcd7b9edba8483ca76e5b2506fbf07f
Publikováno v:
Concurrency and Computation: Practice and Experience.
We propose COMDETECTIVE+, an inter-thread communication analyzer, and REUSETRACKER+, a reuse distance analyzer, that leverage the hardware features in AMD processors to support low-overhead profiling. Both tools employ the instruction-based sampling
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48768d19a2a949447b967bb75db5ad29
https://doi.org/10.1002/cpe.7707
https://doi.org/10.1002/cpe.7707
Publikováno v:
IEEE Transactions on Visualization and Computer Graphics. 28:5178-5180
The topology of isosurfaces changes at isovalues of critical points, making such points an important feature when building contour trees or Morse-Smale complexes. Hexahedral elements with linear interpolants can contain additional off-vertex critical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a6d9717bd3ce07f1dc761692e8ba68c
https://doi.org/10.1109/tvcg.2021.3074438
https://doi.org/10.1109/tvcg.2021.3074438
Autor:
G.-T. Bercea, A. T. T. McRae, D. A. Ham, L. Mitchell, F. Rathgeber, L. Nardi, F. Luporini, P. H. J. Kelly
Publikováno v:
Geoscientific Model Development, Vol 9, Iss 10, Pp 3803-3815 (2016)
We present a generic algorithm for numbering and then efficiently iterating over the data values attached to an extruded mesh. An extruded mesh is formed by replicating an existing mesh, assumed to be unstructured, to form layers of prismatic cells.
Externí odkaz:
https://doaj.org/article/37c6927295694e98b35a709da8ac5176