SiO2 ReaxFF parameter

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1

Hi,

I would like to simulate SiO2 using ReaxFF. I wonder if anybody has deciphered the name of each parameter in the reaxFF parameter file? , 2003, 107 (19), pp 3803–3811 has all the parameters listed but does not use the same nomeclature as in the parameter file. Thank you in advance for your help,

Nick Suek

2

Aidan may want to comment. The pair style reax doc
page also has some documentation.

Steve

3

This is a recurring question. I will contact Adri van Duin to see if he
can provide a validated example of the SiO2 ReaxFF potential.