Development of a ReaxFF Reactive Force Field for Titanium Dioxide/Water Systems

Langmuir ◽  
2013 ◽  
Vol 29 (25) ◽  
pp. 7838-7846 ◽  
Author(s):  
Sung-Yup Kim ◽  
Nitin Kumar ◽  
Petter Persson ◽  
Jorge Sofo ◽  
Adri C. T. van Duin ◽  
...  
Keyword(s):  
Titanium Dioxide ◽  
Force Field ◽  
Water Systems ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field

Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion

2018 ◽  
Vol 122 (34) ◽  
pp. 19613-19624 ◽  
Author(s):  
Seung Ho Hahn ◽  
Jessica Rimsza ◽  
Louise Criscenti ◽  
Wei Sun ◽  
Lu Deng ◽  
...  
Keyword(s):  
Force Field ◽  
Water Systems ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Self Diffusion ◽  
Reaxff Reactive Force Field

Study of the pyrolysis of coals of different rank using the ReaxFF reactive force field

2019 ◽  
Vol 25 (6) ◽  
Author(s):  
Longzhen Guo ◽  
Zhijun Zhou ◽  
Liping Chen ◽  
Shiquan Shan ◽  
Zhihua Wang
Keyword(s):  
Force Field ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field
Sign in / Sign up

Export Citation Format

Share Document