Results 121 to 130 of about 16,671 (310)
Some Experiences of Improving the Speed of Numerical Navier-Stokes Solver Using CUDA
Journal of Algorithms & Computational Technology, 2014 In this paper, the Graphics Processor Unit (GPU) is adopted to accelerate the codes of solving incompressible Navier-Stokes equations with two fully different numerical schemes: spectral method and finite difference method. Compared with the codes on CPU,
Kaiyuan Lou, Qiaohong Li, Zhaohua Yin
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GPU Acceleration of a Cloud Resolving Model using CUDA
, 2012 The increasing computing power of graphics processing units (GPU) has motivated the use of GPUs to speed up climate models. Their low price in conjunction with C style parallel programming tools, like CUDA (Compute Unified Device Architecture), allow the
Garcia, Jose, Zhang, Hong
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Advanced Science, EarlyView.TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin +11 more
wiley +1 more source
Large-scale acceleration algorithms for a deep convective physical parameterization scheme on GPU.
PLoS ONEEarly warning of geological hazards requires monitoring extreme weather conditions, such as heavy rainfall. Atmospheric circulation models are used for weather forecasting and climate simulation.
Yongfei Wang +6 more
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Accelerating Biclique Counting on GPU
2024 IEEE 40th International Conference on Data Engineering (ICDE)This paper has been accepted by ...
Linshan Qiu +4 more
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NMF Clustering: Accessible NMF-based Clustering Utilizing GPU Acceleration. [PDF]
J Bioinform Syst Biol, 2023 Liefeld T +7 more
europepmc +1 more source
Advanced Science, EarlyView.Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang +2 more
wiley +1 more source
GPU-acceleration of the distributed-memory database peptide search of mass spectrometry data. [PDF]
Sci Rep, 2023 Haseeb M, Saeed F.
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Developing performance-portable molecular dynamics kernels in Open CL [PDF]
, 2012 This paper investigates the development of a molecular dynamics code that is highly portable between architectures. Using OpenCL, we develop an implementation of Sandia’s miniMD benchmark that achieves good levels of performance across a wide range of ...
Pennycook, Simon J., Jarvis, Stephen A.
core
Advanced Science, EarlyView.SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang +8 more
wiley +1 more source