LASP: Fast global potential energy surface exploration

Here we introduce the LASP code, which is designed for large‐scale atomistic simulation of complex materials with neural network (NN) potential. The software architecture and functionalities of LASP will be overviewed. LASP features with the global neural network (G‐NN) potential that is generated b...

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Vydané v:	Wiley interdisciplinary reviews. Computational molecular science Ročník 9; číslo 6; s. e1415 - n/a
Hlavní autori:	Huang, Si‐Da, Shang, Cheng, Kang, Pei‐Lin, Zhang, Xiao‐Jie, Liu, Zhi‐Pan
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Hoboken, USA Wiley Periodicals, Inc 01.11.2019 Wiley Subscription Services, Inc
Predmet:	Computer architecture Computer programs Computer simulation Exploration First principles Global optimization Interfaces LASP Molecular dynamics neural network Neural networks Potential energy potential energy surface Simulation Software SSW
ISSN:	1759-0876, 1759-0884
On-line prístup:	Získať plný text
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