Erratum: “Physics-based, neural network force fields for reactive molecular dynamics: Investigation of carbene formation from [EMIM+][OAc−]” [J. Chem. Phys. 155, 104112 (2021)]

2022 ◽  
Vol 156 (2) ◽  
pp. 029901
Author(s):  
John P. Stoppelman ◽  
Jesse G. McDaniel
RSC Advances ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4293-4299 ◽  
Author(s):  
Lei Chen ◽  
Ivan Sukuba ◽  
Michael Probst ◽  
Alexander Kaiser

Reactive self-sputtering from a Be surface is simulated using neural network trained forces with high accuracy. The key in machine learning from DFT calculations is a well-balanced and complete training set of energies and forces obtained by iterative refinement.


RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5507-5515
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Xue-Hai Ju

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.


Author(s):  
Marcelo Lopes Pereira Junior ◽  
Wiliam Ferreira da Cunha ◽  
Douglas Soares Galvão ◽  
Luiz Antonio Ribeiro Junior

Recently, laser-assisted chemical vapor deposition has been used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC).


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