[CP2K-user] Is the cp2k able to study thermal decomposition reactions？

[ba...@163.com]

Dear all,

I am new to cp2k. I want to simulate the decomposition reaction 
of Oxalate containing 26 atoms in bulk liquid state, and determine the 
thermal decomposition temperature of the Oxalate. 

I'm not sure if I can achieve my goal using cp2k.

Any suggestions are truly appreciated for simulating the decomposition 
reaction of organics.

Thanks.

best,

Luyao
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