Results 161 to 170 of about 48,095 (282)

GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials

Materials Genome Engineering Advances, EarlyView.
Graphics processing units molecular dynamics (GPUMD) is an open‐source high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials. We present the GPUMD 4.0 release, with a comprehensive review of its development history, theoretical foundations, supported interatomic potential functions and ...
Ke Xu, Hekai Bu, Shuning Pan, Eric Lindgren, Yongchao Wu, Yong Wang, Jiahui Liu, Keke Song, Bin Xu, Yifan Li, Tobias Hainer, Lucas Svensson, Julia Wiktor, Rui Zhao, Hongfu Huang, Cheng Qian, Shuo Zhang, Zezhu Zeng, Bohan Zhang, Benrui Tang, Yang Xiao, Zihan Yan, Jiuyang Shi, Zhixin Liang, Junjie Wang, Ting Liang, Shuo Cao, Yanzhou Wang, Penghua Ying, Nan Xu, Chengbing Chen, Yuwen Zhang, Zherui Chen, Xin Wu, Wenwu Jiang, Esme Berger, Yanlong Li, Shunda Chen, Alexander J. Gabourie, Haikuan Dong, Shiyun Xiong, Ning Wei, Yue Chen, Jianbin Xu, Feng Ding, Zhimei Sun, Tapio Ala‐Nissila, Ari Harju, Jincheng Zheng, Pengfei Guan, Paul Erhart, Jian Sun, Wengen Ouyang, Yanjing Su, Zheyong Fan   +54 more
wiley   +1 more source

Predicting lithium metal anode failure at an early stage. [PDF]

Natl Sci Rev
Cheong JL, Seh ZW.
europepmc   +1 more source

Biased graph walks for RDF graph embeddings

Web Intelligence, Mining and Semantics, 2017
Michael Cochez, Petar Ristoski, Simone Paolo Ponzetto, Heiko Paulheim   +3 more
semanticscholar   +1 more source

Heavy metal behaviour during RDF gasification [PDF]

, 2006
G. Compagnone, Paolo De Filippis, Marco Scarsella, Nicola Verdone, M. Zeppieri   +4 more
openalex   +1 more source

Molecular Basis for Vacuolar Iron Transport by OsVIT2, a Target for Iron Biofortification in Rice

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Iron deficiency is the prevalent and most widespread nutritional shortfall for humans, affecting over 30% of the global population and leading to anemia, particularly among preschool‐aged children and pregnant women in developing countries. Simultaneously, while half of the world's population depends on rice (Oryza sativa L.) as a staple food,
L. B. Arend, D. S. Lima, M. G. S. Costa, F. K. Ricachenevsky, H. Verli   +4 more
wiley   +1 more source

Large language models for intelligent RDF knowledge graph construction: results from medical ontology mapping. [PDF]

Front Artif Intell
Mavridis A, Tegos S, Anastasiou C, Papoutsoglou M, Meditskos G.   +4 more
europepmc   +1 more source

A RDF and OWL-Based Temporal Context Reasoning Model for Smart Home [PDF]

, 2007
Hsien‐Chou Liao, Chien-Chih Tu
openalex   +1 more source

Discriminating footprints to improve identification of congeneric invasive Rattus species

Pest Management Science, EarlyView.
We used linear discriminant analyses and extreme gradient boosting to distinguish tracking tunnel footprints between two congeneric invasive rat species. Predictive accuracies of the models were ≥ 94%, suggesting the reliability of using tracking tunnels and machine learning algorithms to identify Pacific and ship rats. Photograph credit: Rattus rattus
Sze Wing Yiu, Thomas R. Etherington, James C. Russell   +2 more
wiley   +1 more source

Metatranscriptomic detection of rabbit hemorrhagic disease virus 2 in karoro (southern black-backed gulls). [PDF]

J Virol
Waller SJ, Niebuhr CN, Darnley JA, McInnes K, Winter D, Holmes EC, Geoghegan JL.   +6 more
europepmc   +1 more source

RDFox: A Highly-Scalable RDF Store

International Workshop on the Semantic Web, 2015
Yavor Nenov, R. Piro, B. Motik, Ian Horrocks, Zhe Wu, J. Banerjee   +5 more
semanticscholar   +1 more source