Atomic simulations aim to understand and predict complex physical phenomena,the success of which relies largely on the accuracy of the potential energy surface description and the efficiency to capture important rare ...
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Atomic simulations aim to understand and predict complex physical phenomena,the success of which relies largely on the accuracy of the potential energy surface description and the efficiency to capture important rare *** software(large-scale atomic simulation with a Neural Network Potential),released in 2018,incorporates the key ingredients to fulfill the ultimate goal of atomic simulations by combining advanced neural network potentials with efficient global optimization *** review introduces the recent development of the software along two main streams,namely,higher intelligence and more automation,to solve complex material and reaction *** latest version of LASP(LASP 3.7)features the global many-body function corrected neural network(G-MBNN)to improve the PES accuracy with low cost,which achieves a linear scaling efficiency for large-scale atomic *** key functionalities of LASP are updated to incorporate(i)the ASOP and ML-interface methods for finding complex surface and interface structures under grand canonic conditions;(ii)the ML-TS and MMLPS methods to identify the lowest energy reaction *** these powerful functionalities,LASP now serves as an intelligent data generator to create computational databases for end *** exemplify the recent LASP database construction in zeolite and the metal−ligand properties for a new catalyst design.
Aptamers are single-stranded DNA or RNA oligonucleotides that selectively bind to specific targets, making them valuable for drug design and diagnostic applications. Identifying the interactions between aptamers and t...
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Satellite-based and reanalysis precipitation products provide valuable information for various ***,their performance varies widely across regions due to different data sources and production *** paper evaluated the da...
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Satellite-based and reanalysis precipitation products provide valuable information for various ***,their performance varies widely across regions due to different data sources and production *** paper evaluated the daily performance of four precipitation products(MSWEP,ERA5,PERSIANN,and TRMM)for seven regions of the Chinese mainland,using observations from 2462 ground stations across the country as a *** used four statistical and four classification indicators to describe their spatial and temporal accuracy,and capability to detect precipitation events while analyzing their *** results show that according to the precipitation char-acteristics and accuracy of different types of precipitation products over the Chinese mainland,MSWEP was the most suitable product over the Chinese mainland,having the lowest root mean square error and mean absolute error,along with the highest coefficient of *** was followed by TRMM and ERA5,whereas PERSIANN lagged behind in terms of *** terms of different regions,MSWEP still performed well,especially in North China and East *** accuracy of the four precipitation products was relatively low in the summer months,and they all overestimated in the northwest *** other months,MSWEP and TRMM were better than PERSIANN and *** four precipitation products had good detection performance over the Chinese mainland,with probability of detection above ***,with the increase of precipitation threshold,the detection capability of the four products decreased,and MSWEP and ERA5 had good detection capability for moderate ***’s detection capability for heavy rain and rainstorms was better than that of the other three products,and PERSIANN’s detection capability for moderate rain,heavy rain and rainstorms was relatively poor,with a large deviation.
Database Management Systems (DBMSs) are widely used to efficiently store and retrieve data. DBMSs usually support various metadata, e.g., integrity constraints for ensuring data integrity and indexes for locating data...
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Gradient-domain rendering methods can render higher-quality images at the same time cost compared with traditional ray tracing rendering methods, and, combined with the neural network, achieve better rendering quality...
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Gradient-domain rendering methods can render higher-quality images at the same time cost compared with traditional ray tracing rendering methods, and, combined with the neural network, achieve better rendering quality than conventional screened Poisson reconstruction. However, it is still challenging for these methods to keep detailed information, especially in areas with complex indirect illumination and shadows. We propose an unsupervised reconstruction method that separates the direct rendering from the indirect, and feeds them into our unsupervised network with some corresponding auxiliary channels as two separated tasks. In addition, we introduce attention modules into our network which can further improve details. We finally combine the results of the direct and indirect illumination tasks to form the rendering results. Experiments show that our method significantly improves image quality details, especially in scenes with complex conditions.
The Oak Ridge Leadership Computing Facility (OLCF) has a long history of supporting and promoting GPU-accelerated computing starting with the deployment of the Titan supercomputer in 2021 and continuing with the Summi...
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作者：
Sun, Bing SwenFIAR Group
School of Computer Science Peking University Beijing100871 China Peking University
Key Laboratory of Computational Linguistics Ministry of Education China
Since the advent of IPv6 in the late 1990s, the Internet has included two parallel protocol stacks: TCP/IPv4 and TCP/IPv6. Although the 'legacy' IPv4 part of the Internet is generally recognized as being '...
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People are increasingly concerned about how tectonic processes affect climate and vice versa. We establish a cross-sphere modeling system for volcanic eruptions and atmosphere circulation on a new Sunway supercomputer...
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This paper addresses the planning problem of parallel DC electric springs (DCESs). DCES, a demand-side management method, realizes automatic matching of power consumption and power generation by adjusting non-critical...
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This paper addresses the planning problem of parallel DC electric springs (DCESs). DCES, a demand-side management method, realizes automatic matching of power consumption and power generation by adjusting non-critical load (NCL) and internal storage. It can offer higher power quality to critical load (CL), reduce power imbalance and relieve pressure on energy storage systems (RESs). In this paper, a planning method for parallel DCESs is proposed to maximize stability gain, economic benefits, and penetration of RESs. The planning model is a master optimization with sub-optimization to highlight the priority of objectives. Master optimization is used to improve stability of the network, and sub-optimization aims to improve economic benefit and allowable penetration of RESs. This issue is a multivariable nonlinear mixed integer problem, requiring huge calculations by using common solvers. Therefore, particle Swarm optimization (PSO) and Elitist non-dominated sorting genetic algorithm (NSGA-II) were used to solve this model. Considering uncertainty of RESs, this paper verifies effectiveness of the proposed planning method on IEEE 33-bus system based on deterministic scenarios obtained by scenario analysis.
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