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pro vyhledávání: '"Joshua Hinz"'
Autor:
Dayou Yu, Deep Shankar Pandey, Joshua Hinz, Deyan Mihaylov, Valentin V Karasiev, S X Hu, Qi Yu
Publikováno v:
Machine Learning: Science and Technology, Vol 5, Iss 1, p 015031 (2024)
In this paper, we aim to explore novel machine learning (ML) techniques to facilitate and accelerate the construction of universal equation-Of-State (EOS) models with a high accuracy while ensuring important thermodynamic consistency. When applying M
Externí odkaz:
https://doaj.org/article/5271bdf845104c05b3198a5c50122220
Autor:
Joshua Hinz, Valentin V. Karasiev, S. X. Hu, Mohamed Zaghoo, Daniel Mejía-Rodríguez, S. B. Trickey, L. Calderín
Publikováno v:
Physical Review Research, Vol 2, Iss 3, p 032065 (2020)
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-generalized gradient approximation (GGA) exchange-correlation functional in ab initio Born-Oppenheimer molecular dynamics (BOMD) simulat
Externí odkaz:
https://doaj.org/article/43050f3ee368439fa21fde44b3021e4e
Publikováno v:
Nature. 600:E12-E14
Autor:
Shuai Zhang, Valentin V. Karasiev, Nathaniel Shaffer, Deyan I. Mihaylov, Katarina Nichols, Reetam Paul, R. M. N. Goshadze, Maitrayee Ghosh, Joshua Hinz, Reuben Epstein, Stefan Goedecker, S. X. Hu
A wide-range (0 to 1044.0 g/cm^{3} and 0 to 10^{9} K) equation-of-state (EOS) table for a CH_{1.72}O_{0.37}N_{0.086} quaternary compound has been constructed based on density-functional theory (DFT) molecular-dynamics (MD) calculations using a combin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb4b2a8e5081bea3f9e7797ab394dccd
Publikováno v:
Nature. 600(7889)
Autor:
Suxing Hu, Valentin V. Karasiev, Joshua Hinz, Mohamed Zaghoo, S. B. Trickey, Lazaro Calderin, Daniel Mejía-Rodríguez
Publikováno v:
Physical Review Research. 2
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition (IMT) of wa