Graph neural network framework for energy mapping of hybrid monte-carlo molecular dynamics simulations of Medium Entropy Alloys

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Detalhes bibliográficos
Publicado no:	arXiv.org (Nov 20, 2024), p. n/a
Autor principal:	Mashaekh Tausif Ehsan
Outros Autores:	Saifuddin Zafar, Sarker, Apurba, Sourav Das Suvro, Mohammad Nasim Hasan
Publicado em:	Cornell University Library, arXiv.org
Assuntos:	Simulation Medium entropy alloys Configuration management Thermal stability Drawing Potential energy Material properties Atomic structure Modelling Graph theory Graph neural networks Artificial neural networks High entropy alloys Monte Carlo simulation Graph representations Neural networks Molecular dynamics Machine learning Graphical representations Entropy
Acesso em linha:	Citation/Abstract Full text outside of ProQuest
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