QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: wyh on August 26, 2016, 15:08

Title: How to simulate the oxidation process of Al using a ReaxFF Potential
Post by: wyh on August 26, 2016, 15:08

PLS

Title: Re: How to simulate the oxidation process of Al using a ReaxFF Potential
Post by: Jess Wellendorff on August 29, 2016, 09:04

Perhaps you are looking for something like this: http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b04650 (http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b04650)